18629-1 3D Structure written by MMmdl. 41 42 0 0 1 0 999 V2000 24.0510 12.2016 30.2637 C 0 0 0 0 0 0 23.3159 10.8864 30.5326 C 0 0 0 0 0 0 22.1655 11.1828 31.3207 O 0 0 0 0 0 0 21.3477 10.1523 31.7514 C 0 0 0 0 0 0 21.6919 8.8874 31.3853 N 0 0 0 0 0 0 20.8972 7.8767 31.7648 C 0 0 0 0 0 0 19.7610 8.0525 32.5388 C 0 0 0 0 0 0 19.4157 9.3373 32.9151 C 0 0 0 0 0 0 18.2588 9.4438 33.6763 N 0 0 0 0 0 0 20.2113 10.4260 32.5218 C 0 0 0 0 0 0 19.8989 11.8070 32.8723 C 0 0 0 0 0 0 19.6587 12.9061 33.1464 N 0 0 0 0 0 0 21.3873 6.6638 31.3301 N 0 0 0 0 0 0 20.7487 5.5080 31.1215 C 0 0 0 0 0 0 19.5319 5.3796 31.2433 O 0 0 0 0 0 0 21.5762 4.2864 30.6944 C 0 0 0 0 0 0 23.0915 4.4911 30.6827 C 0 0 0 0 0 0 23.6888 5.3698 29.7694 C 0 0 0 0 0 0 25.0671 5.5919 29.8016 C 0 0 0 0 0 0 25.7101 6.5802 28.8490 C 0 0 0 0 0 0 25.8566 4.9019 30.7231 C 0 0 0 0 0 0 25.2705 4.0092 31.6200 C 0 0 0 0 0 0 23.8912 3.8073 31.6026 C 0 0 0 0 0 0 24.9431 12.0347 29.6609 H 0 0 0 0 0 0 23.4095 12.8989 29.7244 H 0 0 0 0 0 0 24.3546 12.6790 31.1949 H 0 0 0 0 0 0 23.0222 10.4181 29.5906 H 0 0 0 0 0 0 23.9768 10.1935 31.0585 H 0 0 0 0 0 0 19.1563 7.2141 32.8416 H 0 0 0 0 0 0 17.7834 8.6037 33.9927 H 0 0 0 0 0 0 17.8900 10.3575 33.9302 H 0 0 0 0 0 0 22.3762 6.6961 31.1563 H 0 0 0 0 0 0 21.3185 3.4656 31.3622 H 0 0 0 0 0 0 21.2476 3.9881 29.7032 H 0 0 0 0 0 0 23.0789 5.8960 29.0477 H 0 0 0 0 0 0 24.9881 7.3051 28.4726 H 0 0 0 0 0 0 26.5045 7.1383 29.3471 H 0 0 0 0 0 0 26.1450 6.0542 27.9989 H 0 0 0 0 0 0 26.9251 5.0640 30.7500 H 0 0 0 0 0 0 25.8856 3.4782 32.3328 H 0 0 0 0 0 0 23.4493 3.1153 32.3060 H 0 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 30 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 23 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 35 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 36 1 0 0 0 20 37 1 0 0 0 20 38 1 0 0 0 21 22 1 0 0 0 21 39 1 0 0 0 22 23 2 0 0 0 22 40 1 0 0 0 23 41 1 0 0 0 M END > 0 > -8.67377 $$$$ 18634-1 3D Structure written by MMmdl. 46 47 0 0 1 0 999 V2000 24.0733 12.4028 30.2323 C 0 0 0 0 0 0 23.3271 11.0818 30.4341 C 0 0 0 0 0 0 22.2086 11.3387 31.2785 O 0 0 0 0 0 0 21.4076 10.2889 31.6938 C 0 0 0 0 0 0 21.7457 9.0394 31.2730 N 0 0 0 0 0 0 20.9690 8.0101 31.6444 C 0 0 0 0 0 0 19.8628 8.1544 32.4699 C 0 0 0 0 0 0 19.5194 9.4254 32.8937 C 0 0 0 0 0 0 18.3843 9.5057 33.6914 N 0 0 0 0 0 0 20.2911 10.5310 32.5018 C 0 0 0 0 0 0 19.9686 11.9007 32.8839 C 0 0 0 0 0 0 19.7198 12.9914 33.1811 N 0 0 0 0 0 0 21.4264 6.8283 31.0989 N 0 0 0 0 0 0 20.8492 5.6257 31.0244 C 0 0 0 0 0 0 19.7218 5.3642 31.4396 O 0 0 0 0 0 0 21.6453 4.5492 30.2959 C 0 0 0 0 0 0 23.0487 4.3416 30.8592 C 0 0 0 0 0 0 24.1093 5.1752 30.4706 C 0 0 0 0 0 0 23.8251 6.2111 29.5994 O 0 0 0 0 0 0 24.7824 7.2540 29.4258 C 0 0 0 0 0 0 25.3879 4.9247 30.9874 C 0 0 0 0 0 0 25.5914 3.9088 31.9220 C 0 0 0 0 0 0 24.5221 3.1087 32.3472 C 0 0 0 0 0 0 23.2656 3.3183 31.7864 C 0 0 0 0 0 0 24.6165 2.1143 33.2977 O 0 0 0 0 0 0 25.8225 1.9829 34.0425 C 0 0 0 0 0 0 24.9321 12.2709 29.5744 H 0 0 0 0 0 0 23.4201 13.1517 29.7829 H 0 0 0 0 0 0 24.4313 12.7993 31.1825 H 0 0 0 0 0 0 22.9923 10.6829 29.4737 H 0 0 0 0 0 0 23.9965 10.3468 30.8876 H 0 0 0 0 0 0 19.2675 7.3077 32.7672 H 0 0 0 0 0 0 17.9995 10.4112 33.9502 H 0 0 0 0 0 0 17.9030 8.6579 33.9746 H 0 0 0 0 0 0 22.3340 6.9317 30.6726 H 0 0 0 0 0 0 21.0986 3.6093 30.2959 H 0 0 0 0 0 0 21.7112 4.8755 29.2640 H 0 0 0 0 0 0 25.6789 6.8955 28.9178 H 0 0 0 0 0 0 24.3494 8.0402 28.8073 H 0 0 0 0 0 0 25.0654 7.7073 30.3780 H 0 0 0 0 0 0 26.2335 5.5260 30.6895 H 0 0 0 0 0 0 26.5850 3.7612 32.3164 H 0 0 0 0 0 0 22.4552 2.6724 32.0911 H 0 0 0 0 0 0 26.6593 1.6972 33.4036 H 0 0 0 0 0 0 26.0724 2.9044 34.5706 H 0 0 0 0 0 0 25.6996 1.2001 34.7908 H 0 0 0 0 0 0 1 2 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 2 3 1 0 0 0 2 30 1 0 0 0 2 31 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 32 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 33 1 0 0 0 9 34 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 35 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 36 1 0 0 0 16 37 1 0 0 0 17 24 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 38 1 0 0 0 20 39 1 0 0 0 20 40 1 0 0 0 21 22 2 0 0 0 21 41 1 0 0 0 22 23 1 0 0 0 22 42 1 0 0 0 23 24 2 0 0 0 23 25 1 0 0 0 24 43 1 0 0 0 25 26 1 0 0 0 26 44 1 0 0 0 26 45 1 0 0 0 26 46 1 0 0 0 M END > 0 > -9.993231 $$$$ 18628-1 3D Structure written by MMmdl. 41 42 0 0 1 0 999 V2000 23.9605 12.3163 30.2947 C 0 0 0 0 0 0 23.2559 10.9824 30.5536 C 0 0 0 0 0 0 22.1036 11.2446 31.3514 O 0 0 0 0 0 0 21.3110 10.1914 31.7754 C 0 0 0 0 0 0 21.6913 8.9382 31.4088 N 0 0 0 0 0 0 20.9227 7.9051 31.7793 C 0 0 0 0 0 0 19.7725 8.0448 32.5397 C 0 0 0 0 0 0 19.3904 9.3202 32.9187 C 0 0 0 0 0 0 18.2233 9.3985 33.6687 N 0 0 0 0 0 0 20.1628 10.4312 32.5383 C 0 0 0 0 0 0 19.8175 11.8036 32.8910 C 0 0 0 0 0 0 19.5528 12.8968 33.1655 N 0 0 0 0 0 0 21.4664 6.7163 31.3474 N 0 0 0 0 0 0 20.9017 5.5224 31.1455 C 0 0 0 0 0 0 19.7006 5.3105 31.3000 O 0 0 0 0 0 0 21.8103 4.3697 30.6812 C 0 0 0 0 0 0 23.2677 4.7656 30.3673 C 0 0 0 0 0 0 24.3654 4.2247 31.0652 C 0 0 0 0 0 0 24.1953 3.1869 32.1607 C 0 0 0 0 0 0 25.6604 4.6622 30.7690 C 0 0 0 0 0 0 25.8785 5.6251 29.7872 C 0 0 0 0 0 0 24.8016 6.1467 29.0788 C 0 0 0 0 0 0 23.5087 5.7102 29.3592 C 0 0 0 0 0 0 24.2592 12.7902 31.2292 H 0 0 0 0 0 0 24.8528 12.1755 29.6855 H 0 0 0 0 0 0 23.3008 13.0052 29.7667 H 0 0 0 0 0 0 22.9669 10.5177 29.6084 H 0 0 0 0 0 0 23.9355 10.2989 31.0678 H 0 0 0 0 0 0 19.1895 7.1877 32.8320 H 0 0 0 0 0 0 17.8428 10.3048 33.9318 H 0 0 0 0 0 0 17.7717 8.5486 33.9946 H 0 0 0 0 0 0 22.4445 6.8125 31.1370 H 0 0 0 0 0 0 21.7436 3.5904 31.4370 H 0 0 0 0 0 0 21.3668 3.9449 29.7835 H 0 0 0 0 0 0 23.5756 2.3534 31.8283 H 0 0 0 0 0 0 25.1503 2.7671 32.4785 H 0 0 0 0 0 0 23.7383 3.6561 33.0277 H 0 0 0 0 0 0 26.5075 4.2624 31.3084 H 0 0 0 0 0 0 26.8826 5.9668 29.5753 H 0 0 0 0 0 0 24.9756 6.8924 28.3166 H 0 0 0 0 0 0 22.6795 6.1271 28.8055 H 0 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 30 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 23 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 35 1 0 0 0 19 36 1 0 0 0 19 37 1 0 0 0 20 21 2 0 0 0 20 38 1 0 0 0 21 22 1 0 0 0 21 39 1 0 0 0 22 23 2 0 0 0 22 40 1 0 0 0 23 41 1 0 0 0 M END > 0 > -8.702592 $$$$ 18660-1 3D Structure written by MMmdl. 52 53 0 0 1 0 999 V2000 21.2242 13.7577 29.7743 C 0 0 0 0 0 0 22.9858 13.4243 29.4250 S 0 0 0 0 0 0 23.3325 14.1347 28.1853 O 0 0 0 0 0 0 23.7515 13.6655 30.6540 O 0 0 0 0 0 0 23.0345 11.6250 29.1007 C 0 0 0 0 0 0 23.2416 10.8260 30.3896 C 0 0 0 0 0 0 22.1374 11.0915 31.2625 O 0 0 0 0 0 0 21.3481 10.0698 31.7543 C 0 0 0 0 0 0 21.6928 8.8106 31.3991 N 0 0 0 0 0 0 20.9169 7.7999 31.7865 C 0 0 0 0 0 0 19.7851 7.9631 32.5715 C 0 0 0 0 0 0 19.4339 9.2500 32.9461 C 0 0 0 0 0 0 18.2722 9.3640 33.7009 N 0 0 0 0 0 0 20.2235 10.3414 32.5432 C 0 0 0 0 0 0 19.9110 11.7214 32.8945 C 0 0 0 0 0 0 19.6714 12.8208 33.1675 N 0 0 0 0 0 0 21.4154 6.6269 31.2767 N 0 0 0 0 0 0 20.7987 5.4740 31.0443 C 0 0 0 0 0 0 19.6158 5.2719 31.3028 O 0 0 0 0 0 0 21.6200 4.4088 30.3253 C 0 0 0 0 0 0 22.9824 4.1291 30.9583 C 0 0 0 0 0 0 24.0821 4.9595 30.6887 C 0 0 0 0 0 0 23.8687 6.0491 29.8635 O 0 0 0 0 0 0 24.9419 6.9455 29.5869 C 0 0 0 0 0 0 25.3204 4.6479 31.2676 C 0 0 0 0 0 0 25.4495 3.5512 32.1202 C 0 0 0 0 0 0 24.3619 2.7258 32.3925 C 0 0 0 0 0 0 23.1276 3.0227 31.8010 C 0 0 0 0 0 0 24.5822 1.6654 33.2461 O 0 0 0 0 0 0 23.6524 0.5847 33.2552 C 0 0 0 0 0 0 20.6224 13.4455 28.9242 H 0 0 0 0 0 0 20.9239 13.2060 30.6603 H 0 0 0 0 0 0 21.0976 14.8220 29.9576 H 0 0 0 0 0 0 22.1221 11.3399 28.5828 H 0 0 0 0 0 0 23.8612 11.4529 28.4152 H 0 0 0 0 0 0 23.4140 9.7837 30.1198 H 0 0 0 0 0 0 24.1564 11.1350 30.8975 H 0 0 0 0 0 0 19.1830 7.1215 32.8686 H 0 0 0 0 0 0 17.9080 10.2805 33.9495 H 0 0 0 0 0 0 17.7984 8.5273 34.0307 H 0 0 0 0 0 0 22.3652 6.7216 30.9520 H 0 0 0 0 0 0 21.0528 3.4878 30.2402 H 0 0 0 0 0 0 21.7618 4.7818 29.3166 H 0 0 0 0 0 0 25.7707 6.4417 29.0871 H 0 0 0 0 0 0 24.5889 7.7313 28.9191 H 0 0 0 0 0 0 25.3079 7.4296 30.4933 H 0 0 0 0 0 0 26.1942 5.2498 31.0718 H 0 0 0 0 0 0 26.4048 3.3255 32.5717 H 0 0 0 0 0 0 22.2756 2.3889 31.9880 H 0 0 0 0 0 0 24.0231 -0.2004 33.9140 H 0 0 0 0 0 0 22.6722 0.8804 33.6279 H 0 0 0 0 0 0 23.5373 0.1485 32.2627 H 0 0 0 0 0 0 1 2 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 2 3 2 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 5 34 1 0 0 0 5 35 1 0 0 0 6 7 1 0 0 0 6 36 1 0 0 0 6 37 1 0 0 0 7 8 1 0 0 0 8 14 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 10 17 1 0 0 0 11 12 1 0 0 0 11 38 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 15 1 0 0 0 15 16 3 0 0 0 17 18 1 0 0 0 17 41 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 20 42 1 0 0 0 20 43 1 0 0 0 21 28 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 22 25 1 0 0 0 23 24 1 0 0 0 24 44 1 0 0 0 24 45 1 0 0 0 24 46 1 0 0 0 25 26 2 0 0 0 25 47 1 0 0 0 26 27 1 0 0 0 26 48 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 28 49 1 0 0 0 29 30 1 0 0 0 30 50 1 0 0 0 30 51 1 0 0 0 30 52 1 0 0 0 M END > 0 > -8.702592 $$$$ 18624-1 3D Structure written by MMmdl. 38 39 0 0 1 0 999 V2000 24.0164 12.2539 30.2762 C 0 0 0 0 0 0 23.2908 10.9314 30.5359 C 0 0 0 0 0 0 22.1419 11.2134 31.3311 O 0 0 0 0 0 0 21.3323 10.1743 31.7566 C 0 0 0 0 0 0 21.6855 8.9139 31.3839 N 0 0 0 0 0 0 20.8979 7.8953 31.7573 C 0 0 0 0 0 0 19.7602 8.0588 32.5320 C 0 0 0 0 0 0 19.4059 9.3393 32.9154 C 0 0 0 0 0 0 18.2480 9.4343 33.6766 N 0 0 0 0 0 0 20.1940 10.4357 32.5279 C 0 0 0 0 0 0 19.8720 11.8131 32.8833 C 0 0 0 0 0 0 19.6248 12.9098 33.1606 N 0 0 0 0 0 0 21.3998 6.6892 31.3168 N 0 0 0 0 0 0 20.7829 5.5176 31.1304 C 0 0 0 0 0 0 19.5708 5.3642 31.2684 O 0 0 0 0 0 0 21.6349 4.3090 30.7130 C 0 0 0 0 0 0 23.1282 4.5971 30.5483 C 0 0 0 0 0 0 23.5814 5.4159 29.5068 C 0 0 0 0 0 0 24.9398 5.7006 29.3735 C 0 0 0 0 0 0 25.8537 5.1673 30.2817 C 0 0 0 0 0 0 25.4095 4.3457 31.3184 C 0 0 0 0 0 0 24.0502 4.0609 31.4520 C 0 0 0 0 0 0 24.9074 12.0984 29.6688 H 0 0 0 0 0 0 23.3684 12.9520 29.7458 H 0 0 0 0 0 0 24.3206 12.7248 31.2106 H 0 0 0 0 0 0 22.9961 10.4697 29.5909 H 0 0 0 0 0 0 23.9583 10.2381 31.0529 H 0 0 0 0 0 0 19.1613 7.2149 32.8307 H 0 0 0 0 0 0 17.7801 8.5900 33.9930 H 0 0 0 0 0 0 17.8746 10.3449 33.9353 H 0 0 0 0 0 0 22.3839 6.7405 31.1200 H 0 0 0 0 0 0 21.4790 3.5192 31.4477 H 0 0 0 0 0 0 21.2427 3.9300 29.7726 H 0 0 0 0 0 0 22.8769 5.8379 28.8038 H 0 0 0 0 0 0 25.2864 6.3344 28.5687 H 0 0 0 0 0 0 26.9068 5.3922 30.1824 H 0 0 0 0 0 0 26.1194 3.9318 32.0207 H 0 0 0 0 0 0 23.7188 3.4238 32.2602 H 0 0 0 0 0 0 1 2 1 0 0 0 1 23 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 2 3 1 0 0 0 2 26 1 0 0 0 2 27 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 28 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 29 1 0 0 0 9 30 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 31 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 32 1 0 0 0 16 33 1 0 0 0 17 22 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 34 1 0 0 0 19 20 2 0 0 0 19 35 1 0 0 0 20 21 1 0 0 0 20 36 1 0 0 0 21 22 2 0 0 0 21 37 1 0 0 0 22 38 1 0 0 0 M END > 2 > -8.49337 $$$$ 18633-1 3D Structure written by MMmdl. 42 43 0 0 1 0 999 V2000 24.0387 12.2179 30.2669 C 0 0 0 0 0 0 23.3044 10.9016 30.5332 C 0 0 0 0 0 0 22.1563 11.1951 31.3256 O 0 0 0 0 0 0 21.3390 10.1633 31.7540 C 0 0 0 0 0 0 21.6823 8.8992 31.3837 N 0 0 0 0 0 0 20.8867 7.8880 31.7599 C 0 0 0 0 0 0 19.7522 8.0618 32.5365 C 0 0 0 0 0 0 19.4083 9.3453 32.9173 C 0 0 0 0 0 0 18.2524 9.4490 33.6800 N 0 0 0 0 0 0 20.2035 10.4351 32.5260 C 0 0 0 0 0 0 19.8910 11.8152 32.8794 C 0 0 0 0 0 0 19.6510 12.9138 33.1554 N 0 0 0 0 0 0 21.3748 6.6763 31.3202 N 0 0 0 0 0 0 20.7393 5.5159 31.1264 C 0 0 0 0 0 0 19.5238 5.3827 31.2542 O 0 0 0 0 0 0 21.5737 4.2933 30.7142 C 0 0 0 0 0 0 23.0754 4.5499 30.5850 C 0 0 0 0 0 0 23.9617 4.0062 31.5176 C 0 0 0 0 0 0 25.3276 4.2685 31.4147 C 0 0 0 0 0 0 25.8300 5.0672 30.3878 C 0 0 0 0 0 0 24.9363 5.6034 29.4476 C 0 0 0 0 0 0 23.5696 5.3480 29.5477 C 0 0 0 0 0 0 27.1928 5.2764 30.3815 O 0 0 0 0 0 0 27.7622 6.0804 29.3514 C 0 0 0 0 0 0 24.9291 12.0530 29.6611 H 0 0 0 0 0 0 23.3956 12.9170 29.7318 H 0 0 0 0 0 0 24.3449 12.6920 31.1989 H 0 0 0 0 0 0 23.0079 10.4366 29.5904 H 0 0 0 0 0 0 23.9667 10.2069 31.0548 H 0 0 0 0 0 0 19.1471 7.2232 32.8380 H 0 0 0 0 0 0 17.7774 8.6080 33.9939 H 0 0 0 0 0 0 17.8829 10.3621 33.9354 H 0 0 0 0 0 0 22.3609 6.7127 31.1322 H 0 0 0 0 0 0 21.3859 3.5003 31.4380 H 0 0 0 0 0 0 21.1948 3.9318 29.7615 H 0 0 0 0 0 0 23.5982 3.3827 32.3233 H 0 0 0 0 0 0 26.0138 3.8530 32.1380 H 0 0 0 0 0 0 25.2874 6.2225 28.6362 H 0 0 0 0 0 0 22.8915 5.7767 28.8218 H 0 0 0 0 0 0 28.8350 6.1759 29.5197 H 0 0 0 0 0 0 27.6209 5.6285 28.3678 H 0 0 0 0 0 0 27.3422 7.0878 29.3414 H 0 0 0 0 0 0 1 2 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 2 3 1 0 0 0 2 28 1 0 0 0 2 29 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 30 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 33 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 34 1 0 0 0 16 35 1 0 0 0 17 22 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 36 1 0 0 0 19 20 2 0 0 0 19 37 1 0 0 0 20 21 1 0 0 0 20 23 1 0 0 0 21 22 2 0 0 0 21 38 1 0 0 0 22 39 1 0 0 0 23 24 1 0 0 0 24 40 1 0 0 0 24 41 1 0 0 0 24 42 1 0 0 0 M END > 0 > -9.174299 $$$$ 18635-1 3D Structure written by MMmdl. 44 45 0 0 1 0 999 V2000 23.9496 12.4061 30.2951 C 0 0 0 0 0 0 23.2519 11.0659 30.5395 C 0 0 0 0 0 0 22.1059 11.3120 31.3507 O 0 0 0 0 0 0 21.3257 10.2498 31.7750 C 0 0 0 0 0 0 21.7076 9.0020 31.3906 N 0 0 0 0 0 0 20.9482 7.9622 31.7631 C 0 0 0 0 0 0 19.8115 8.0884 32.5458 C 0 0 0 0 0 0 19.4246 9.3586 32.9354 C 0 0 0 0 0 0 18.2605 9.4247 33.6906 N 0 0 0 0 0 0 20.1835 10.4770 32.5507 C 0 0 0 0 0 0 19.8271 11.8457 32.9062 C 0 0 0 0 0 0 19.5534 12.9361 33.1819 N 0 0 0 0 0 0 21.4602 6.7905 31.2552 N 0 0 0 0 0 0 20.8690 5.6163 31.0257 C 0 0 0 0 0 0 19.7072 5.3517 31.3317 O 0 0 0 0 0 0 21.6960 4.6002 30.2412 C 0 0 0 0 0 0 23.0923 4.3587 30.8149 C 0 0 0 0 0 0 23.3320 3.5009 31.9082 C 0 0 0 0 0 0 22.2245 2.7564 32.6419 C 0 0 0 0 0 0 24.6378 3.3402 32.3790 C 0 0 0 0 0 0 25.7007 4.0060 31.7729 C 0 0 0 0 0 0 25.4683 4.8553 30.6932 C 0 0 0 0 0 0 26.6266 5.5872 30.0438 C 0 0 0 0 0 0 24.1669 5.0304 30.2231 C 0 0 0 0 0 0 24.8368 12.2785 29.6758 H 0 0 0 0 0 0 23.2828 13.1011 29.7843 H 0 0 0 0 0 0 24.2552 12.8660 31.2344 H 0 0 0 0 0 0 22.9560 10.6141 29.5902 H 0 0 0 0 0 0 23.9386 10.3777 31.0378 H 0 0 0 0 0 0 19.2323 7.2271 32.8336 H 0 0 0 0 0 0 17.8088 8.5700 34.0033 H 0 0 0 0 0 0 17.8688 10.3268 33.9516 H 0 0 0 0 0 0 22.4122 6.9078 30.9611 H 0 0 0 0 0 0 21.1583 3.6552 30.1892 H 0 0 0 0 0 0 21.7531 4.9685 29.2242 H 0 0 0 0 0 0 21.3553 2.5384 32.0255 H 0 0 0 0 0 0 22.5860 1.7998 33.0229 H 0 0 0 0 0 0 21.8978 3.3487 33.4963 H 0 0 0 0 0 0 24.8349 2.6931 33.2226 H 0 0 0 0 0 0 26.7047 3.8657 32.1475 H 0 0 0 0 0 0 27.2822 6.0176 30.8015 H 0 0 0 0 0 0 27.2127 4.8995 29.4338 H 0 0 0 0 0 0 26.2815 6.4018 29.4053 H 0 0 0 0 0 0 23.9868 5.7101 29.4031 H 0 0 0 0 0 0 1 2 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 2 3 1 0 0 0 2 28 1 0 0 0 2 29 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 30 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 33 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 34 1 0 0 0 16 35 1 0 0 0 17 24 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 36 1 0 0 0 19 37 1 0 0 0 19 38 1 0 0 0 20 21 2 0 0 0 20 39 1 0 0 0 21 22 1 0 0 0 21 40 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 23 41 1 0 0 0 23 42 1 0 0 0 23 43 1 0 0 0 24 44 1 0 0 0 M END > 0 > -7.286071 $$$$ 17124-1 3D Structure written by MMmdl. 46 47 0 0 1 0 999 V2000 24.0816 12.3916 30.2423 C 0 0 0 0 0 0 23.3500 11.0657 30.4628 C 0 0 0 0 0 0 22.2121 11.3274 31.2794 O 0 0 0 0 0 0 21.4127 10.2773 31.6976 C 0 0 0 0 0 0 21.7567 9.0266 31.2850 N 0 0 0 0 0 0 20.9811 7.9971 31.6572 C 0 0 0 0 0 0 19.8706 8.1421 32.4769 C 0 0 0 0 0 0 19.5217 9.4143 32.8937 C 0 0 0 0 0 0 18.3827 9.4958 33.6863 N 0 0 0 0 0 0 20.2923 10.5202 32.5003 C 0 0 0 0 0 0 19.9657 11.8905 32.8774 C 0 0 0 0 0 0 19.7135 12.9814 33.1712 N 0 0 0 0 0 0 21.4435 6.8153 31.1146 N 0 0 0 0 0 0 20.8639 5.6146 31.0308 C 0 0 0 0 0 0 19.7396 5.3500 31.4512 O 0 0 0 0 0 0 21.6499 4.5466 30.2798 C 0 0 0 0 0 0 23.0247 4.2587 30.8770 C 0 0 0 0 0 0 24.1218 5.0797 30.5737 C 0 0 0 0 0 0 23.8940 6.1755 29.7600 O 0 0 0 0 0 0 24.9260 7.1419 29.5741 C 0 0 0 0 0 0 25.3756 4.7488 31.1028 C 0 0 0 0 0 0 25.5283 3.6468 31.9432 C 0 0 0 0 0 0 27.2648 3.2511 32.6230 Br 0 0 0 0 0 0 24.4329 2.8399 32.2701 C 0 0 0 0 0 0 23.1819 3.1565 31.7231 C 0 0 0 0 0 0 24.6457 1.7801 33.1306 O 0 0 0 0 0 0 23.7084 0.7066 33.1601 C 0 0 0 0 0 0 24.9658 12.2529 29.6210 H 0 0 0 0 0 0 23.4330 13.1123 29.7438 H 0 0 0 0 0 0 24.3974 12.8270 31.1900 H 0 0 0 0 0 0 23.0415 10.6380 29.5063 H 0 0 0 0 0 0 24.0190 10.3518 30.9488 H 0 0 0 0 0 0 19.2757 7.2952 32.7747 H 0 0 0 0 0 0 17.9031 8.6482 33.9732 H 0 0 0 0 0 0 17.9977 10.4016 33.9433 H 0 0 0 0 0 0 22.3516 6.9230 30.6906 H 0 0 0 0 0 0 21.0717 3.6287 30.2152 H 0 0 0 0 0 0 21.7630 4.9135 29.2646 H 0 0 0 0 0 0 24.5476 7.9548 28.9541 H 0 0 0 0 0 0 25.2471 7.5788 30.5210 H 0 0 0 0 0 0 25.7903 6.7169 29.0616 H 0 0 0 0 0 0 26.2494 5.3384 30.8749 H 0 0 0 0 0 0 22.3237 2.5419 31.9463 H 0 0 0 0 0 0 24.0776 -0.0691 33.8306 H 0 0 0 0 0 0 22.7306 1.0102 33.5310 H 0 0 0 0 0 0 23.5885 0.2529 32.1771 H 0 0 0 0 0 0 1 2 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 2 3 1 0 0 0 2 31 1 0 0 0 2 32 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 33 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 34 1 0 0 0 9 35 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 36 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 37 1 0 0 0 16 38 1 0 0 0 17 25 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 39 1 0 0 0 20 40 1 0 0 0 20 41 1 0 0 0 21 22 2 0 0 0 21 42 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 25 43 1 0 0 0 26 27 1 0 0 0 27 44 1 0 0 0 27 45 1 0 0 0 27 46 1 0 0 0 M END > 0 > -9.675922 $$$$ 18625-1 3D Structure written by MMmdl. 38 39 0 0 1 0 999 V2000 23.9836 12.4667 30.2867 C 0 0 0 0 0 0 23.2737 11.1272 30.4972 C 0 0 0 0 0 0 22.1371 11.3623 31.3251 O 0 0 0 0 0 0 21.3544 10.2954 31.7327 C 0 0 0 0 0 0 21.7200 9.0555 31.3102 N 0 0 0 0 0 0 20.9619 8.0098 31.6663 C 0 0 0 0 0 0 19.8426 8.1238 32.4782 C 0 0 0 0 0 0 19.4695 9.3867 32.9059 C 0 0 0 0 0 0 18.3212 9.4436 33.6872 N 0 0 0 0 0 0 20.2252 10.5101 32.5303 C 0 0 0 0 0 0 19.8753 11.8722 32.9144 C 0 0 0 0 0 0 19.6057 12.9576 33.2124 N 0 0 0 0 0 0 21.4575 6.8521 31.1054 N 0 0 0 0 0 0 20.9156 5.6355 31.0009 C 0 0 0 0 0 0 19.8099 5.3226 31.4377 O 0 0 0 0 0 0 21.7255 4.6155 30.2083 C 0 0 0 0 0 0 23.0587 4.2602 30.8639 C 0 0 0 0 0 0 23.1402 3.3559 31.9374 C 0 0 0 0 0 0 21.7341 2.5734 32.5724 Cl 0 0 0 0 0 0 24.3761 3.0744 32.5186 C 0 0 0 0 0 0 25.5378 3.6730 32.0318 C 0 0 0 0 0 0 25.4624 4.5663 30.9649 C 0 0 0 0 0 0 24.2283 4.8614 30.3873 C 0 0 0 0 0 0 24.8633 12.3484 29.6549 H 0 0 0 0 0 0 23.3197 13.1844 29.8043 H 0 0 0 0 0 0 24.3036 12.8938 31.2365 H 0 0 0 0 0 0 22.9649 10.7062 29.5378 H 0 0 0 0 0 0 23.9573 10.4175 30.9690 H 0 0 0 0 0 0 19.2603 7.2626 32.7589 H 0 0 0 0 0 0 17.9290 10.3428 33.9568 H 0 0 0 0 0 0 17.8636 8.5866 33.9837 H 0 0 0 0 0 0 22.3528 7.0201 30.6785 H 0 0 0 0 0 0 21.1373 3.7123 30.0604 H 0 0 0 0 0 0 21.8841 5.0365 29.2197 H 0 0 0 0 0 0 24.4287 2.3849 33.3488 H 0 0 0 0 0 0 26.4943 3.4488 32.4838 H 0 0 0 0 0 0 26.3590 5.0424 30.5919 H 0 0 0 0 0 0 24.1838 5.5759 29.5770 H 0 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 30 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 23 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 20 21 2 0 0 0 20 35 1 0 0 0 21 22 1 0 0 0 21 36 1 0 0 0 22 23 2 0 0 0 22 37 1 0 0 0 23 38 1 0 0 0 M END > 0 > -8.105004 $$$$ 18659-1 3D Structure written by MMmdl. 50 51 0 0 1 0 999 V2000 25.3050 12.1344 28.3533 C 0 0 0 0 0 0 25.3255 12.3475 29.7610 O 0 0 0 0 0 0 24.0339 12.4868 30.3516 C 0 0 0 0 0 0 23.3142 11.1388 30.5400 C 0 0 0 0 0 0 22.1418 11.3640 31.3238 O 0 0 0 0 0 0 21.3619 10.2949 31.7280 C 0 0 0 0 0 0 21.7291 9.0548 31.3049 N 0 0 0 0 0 0 20.9668 8.0091 31.6649 C 0 0 0 0 0 0 19.8501 8.1315 32.4812 C 0 0 0 0 0 0 19.4780 9.3944 32.9057 C 0 0 0 0 0 0 18.3316 9.4546 33.6892 N 0 0 0 0 0 0 20.2337 10.5143 32.5251 C 0 0 0 0 0 0 19.8862 11.8780 32.9066 C 0 0 0 0 0 0 19.6195 12.9648 33.2019 N 0 0 0 0 0 0 21.4412 6.8348 31.1127 N 0 0 0 0 0 0 20.8679 5.6312 31.0118 C 0 0 0 0 0 0 19.7432 5.3541 31.4246 O 0 0 0 0 0 0 21.6641 4.5751 30.2539 C 0 0 0 0 0 0 23.0297 4.2834 30.8691 C 0 0 0 0 0 0 24.1299 5.1089 30.5871 C 0 0 0 0 0 0 23.9130 6.2046 29.7697 O 0 0 0 0 0 0 24.9454 7.1747 29.6060 C 0 0 0 0 0 0 25.3741 4.7857 31.1456 C 0 0 0 0 0 0 25.5056 3.6911 32.0008 C 0 0 0 0 0 0 24.4142 2.8780 32.2954 C 0 0 0 0 0 0 23.1745 3.1802 31.7177 C 0 0 0 0 0 0 24.6372 1.8269 33.1598 O 0 0 0 0 0 0 23.7198 0.7356 33.1705 C 0 0 0 0 0 0 26.3276 12.0663 27.9821 H 0 0 0 0 0 0 24.7968 11.2069 28.0860 H 0 0 0 0 0 0 24.8188 12.9601 27.8307 H 0 0 0 0 0 0 24.1841 12.9412 31.3310 H 0 0 0 0 0 0 23.4112 13.1869 29.7908 H 0 0 0 0 0 0 23.0447 10.7045 29.5760 H 0 0 0 0 0 0 23.9826 10.4389 31.0456 H 0 0 0 0 0 0 19.2656 7.2744 32.7693 H 0 0 0 0 0 0 17.8696 8.5990 33.9826 H 0 0 0 0 0 0 17.9384 10.3545 33.9550 H 0 0 0 0 0 0 22.3546 6.9473 30.7003 H 0 0 0 0 0 0 21.0888 3.6569 30.1676 H 0 0 0 0 0 0 21.7922 4.9565 29.2453 H 0 0 0 0 0 0 25.8243 6.7515 29.1175 H 0 0 0 0 0 0 25.2403 7.6161 30.5591 H 0 0 0 0 0 0 24.5798 7.9840 28.9737 H 0 0 0 0 0 0 26.2495 5.3806 30.9352 H 0 0 0 0 0 0 26.4650 3.4600 32.4406 H 0 0 0 0 0 0 22.3175 2.5586 31.9244 H 0 0 0 0 0 0 24.0868 -0.0315 33.8520 H 0 0 0 0 0 0 22.7275 1.0218 33.5161 H 0 0 0 0 0 0 23.6316 0.2777 32.1859 H 0 0 0 0 0 0 1 2 1 0 0 0 1 29 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 3 32 1 0 0 0 3 33 1 0 0 0 4 5 1 0 0 0 4 34 1 0 0 0 4 35 1 0 0 0 5 6 1 0 0 0 6 12 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 15 1 0 0 0 9 10 1 0 0 0 9 36 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 11 37 1 0 0 0 11 38 1 0 0 0 12 13 1 0 0 0 13 14 3 0 0 0 15 16 1 0 0 0 15 39 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 26 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 20 23 1 0 0 0 21 22 1 0 0 0 22 42 1 0 0 0 22 43 1 0 0 0 22 44 1 0 0 0 23 24 2 0 0 0 23 45 1 0 0 0 24 25 1 0 0 0 24 46 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 26 47 1 0 0 0 27 28 1 0 0 0 28 48 1 0 0 0 28 49 1 0 0 0 28 50 1 0 0 0 M END > 0 > -9.465222 $$$$ 18637-1 3D Structure written by MMmdl. 53 54 0 0 1 0 999 V2000 24.0679 12.3974 30.2299 C 0 0 0 0 0 0 23.3159 11.0783 30.4227 C 0 0 0 0 0 0 22.2074 11.3318 31.2810 O 0 0 0 0 0 0 21.4078 10.2815 31.6977 C 0 0 0 0 0 0 21.7477 9.0318 31.2791 N 0 0 0 0 0 0 20.9736 8.0017 31.6536 C 0 0 0 0 0 0 19.8665 8.1461 32.4779 C 0 0 0 0 0 0 19.5200 9.4177 32.8981 C 0 0 0 0 0 0 18.3829 9.4988 33.6931 N 0 0 0 0 0 0 20.2909 10.5235 32.5051 C 0 0 0 0 0 0 19.9670 11.8935 32.8853 C 0 0 0 0 0 0 19.7174 12.9843 33.1812 N 0 0 0 0 0 0 21.4331 6.8194 31.1098 N 0 0 0 0 0 0 20.8527 5.6189 31.0281 C 0 0 0 0 0 0 19.7272 5.3573 31.4476 O 0 0 0 0 0 0 21.6390 4.5479 30.2799 C 0 0 0 0 0 0 23.0290 4.2861 30.8549 C 0 0 0 0 0 0 24.1071 5.1197 30.5266 C 0 0 0 0 0 0 23.8494 6.2028 29.7043 O 0 0 0 0 0 0 24.8536 7.1989 29.5184 C 0 0 0 0 0 0 25.3718 4.8226 31.0461 C 0 0 0 0 0 0 25.5645 3.7381 31.9139 C 0 0 0 0 0 0 24.4775 2.9179 32.2550 C 0 0 0 0 0 0 23.2164 3.1999 31.7130 C 0 0 0 0 0 0 24.7079 1.8722 33.1347 O 0 0 0 0 0 0 23.7954 0.7759 33.1653 C 0 0 0 0 0 0 26.8105 3.4129 32.4986 N 0 0 0 0 0 0 28.0304 3.9580 32.3626 C 0 0 0 0 0 0 28.3090 4.8809 31.6038 O 0 0 0 0 0 0 29.1268 3.3864 33.2444 C 0 0 0 0 0 0 24.9126 12.2714 29.5531 H 0 0 0 0 0 0 23.4120 13.1593 29.8075 H 0 0 0 0 0 0 24.4475 12.7735 31.1798 H 0 0 0 0 0 0 22.9679 10.6939 29.4613 H 0 0 0 0 0 0 23.9861 10.3339 30.8590 H 0 0 0 0 0 0 19.2723 7.2992 32.7769 H 0 0 0 0 0 0 17.9982 10.4045 33.9508 H 0 0 0 0 0 0 17.9022 8.6511 33.9777 H 0 0 0 0 0 0 22.3411 6.9232 30.6839 H 0 0 0 0 0 0 21.0716 3.6218 30.2389 H 0 0 0 0 0 0 21.7296 4.9031 29.2587 H 0 0 0 0 0 0 25.1766 7.6318 30.4670 H 0 0 0 0 0 0 25.7221 6.8023 28.9901 H 0 0 0 0 0 0 24.4470 8.0095 28.9134 H 0 0 0 0 0 0 26.2052 5.4494 30.7818 H 0 0 0 0 0 0 22.3705 2.5750 31.9549 H 0 0 0 0 0 0 24.1826 0.0083 33.8350 H 0 0 0 0 0 0 22.8116 1.0576 33.5378 H 0 0 0 0 0 0 23.6827 0.3201 32.1822 H 0 0 0 0 0 0 26.7329 2.6375 33.1392 H 0 0 0 0 0 0 28.7666 2.6002 33.9071 H 0 0 0 0 0 0 29.9206 2.9779 32.6211 H 0 0 0 0 0 0 29.5482 4.1842 33.8561 H 0 0 0 0 0 0 1 2 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 2 3 1 0 0 0 2 34 1 0 0 0 2 35 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 36 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 37 1 0 0 0 9 38 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 39 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 40 1 0 0 0 16 41 1 0 0 0 17 24 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 42 1 0 0 0 20 43 1 0 0 0 20 44 1 0 0 0 21 22 2 0 0 0 21 45 1 0 0 0 22 23 1 0 0 0 22 27 1 0 0 0 23 24 2 0 0 0 23 25 1 0 0 0 24 46 1 0 0 0 25 26 1 0 0 0 26 47 1 0 0 0 26 48 1 0 0 0 26 49 1 0 0 0 27 28 1 0 0 0 27 50 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 30 51 1 0 0 0 30 52 1 0 0 0 30 53 1 0 0 0 M END > 0 > -10.141692 $$$$ 18638-1 3D Structure written by MMmdl. 52 53 0 0 1 0 999 V2000 24.0828 12.3868 30.2428 C 0 0 0 0 0 0 23.3511 11.0608 30.4631 C 0 0 0 0 0 0 22.2130 11.3224 31.2794 O 0 0 0 0 0 0 21.4137 10.2724 31.6978 C 0 0 0 0 0 0 21.7583 9.0214 31.2860 N 0 0 0 0 0 0 20.9833 7.9917 31.6587 C 0 0 0 0 0 0 19.8720 8.1371 32.4777 C 0 0 0 0 0 0 19.5223 9.4096 32.8934 C 0 0 0 0 0 0 18.3826 9.4917 33.6852 N 0 0 0 0 0 0 20.2930 10.5154 32.4999 C 0 0 0 0 0 0 19.9661 11.8857 32.8768 C 0 0 0 0 0 0 19.7139 12.9766 33.1706 N 0 0 0 0 0 0 21.4471 6.8094 31.1176 N 0 0 0 0 0 0 20.8648 5.6102 31.0302 C 0 0 0 0 0 0 19.7384 5.3480 31.4462 O 0 0 0 0 0 0 21.6493 4.5406 30.2812 C 0 0 0 0 0 0 23.0099 4.2326 30.8981 C 0 0 0 0 0 0 24.1205 5.0418 30.6147 C 0 0 0 0 0 0 23.9162 6.1432 29.8018 O 0 0 0 0 0 0 24.9744 7.0761 29.5922 C 0 0 0 0 0 0 25.3630 4.6931 31.1582 C 0 0 0 0 0 0 25.4887 3.5794 31.9953 C 0 0 0 0 0 0 27.1113 3.1594 32.6460 S 0 0 0 0 0 0 28.0639 4.2094 32.2494 O 0 0 0 0 0 0 26.9781 2.8102 34.0695 O 0 0 0 0 0 0 27.5657 1.6315 31.7313 C 0 0 0 0 0 0 24.3792 2.7781 32.2959 C 0 0 0 0 0 0 23.1415 3.1205 31.7349 C 0 0 0 0 0 0 24.5589 1.6919 33.1307 O 0 0 0 0 0 0 23.5930 0.6441 33.1472 C 0 0 0 0 0 0 24.9667 12.2481 29.6211 H 0 0 0 0 0 0 23.4340 13.1077 29.7447 H 0 0 0 0 0 0 24.3990 12.8219 31.1906 H 0 0 0 0 0 0 23.0429 10.6331 29.5065 H 0 0 0 0 0 0 24.0201 10.3469 30.9492 H 0 0 0 0 0 0 19.2773 7.2904 32.7761 H 0 0 0 0 0 0 17.9032 8.6443 33.9735 H 0 0 0 0 0 0 17.9980 10.3977 33.9421 H 0 0 0 0 0 0 22.3581 6.9165 30.6994 H 0 0 0 0 0 0 21.0631 3.6295 30.2004 H 0 0 0 0 0 0 21.7824 4.9132 29.2703 H 0 0 0 0 0 0 24.6154 7.8880 28.9593 H 0 0 0 0 0 0 25.3134 7.5216 30.5284 H 0 0 0 0 0 0 25.8233 6.6177 29.0824 H 0 0 0 0 0 0 26.2396 5.2813 30.9372 H 0 0 0 0 0 0 27.5804 1.8413 30.6637 H 0 0 0 0 0 0 28.5481 1.2980 32.0584 H 0 0 0 0 0 0 26.8259 0.8607 31.9422 H 0 0 0 0 0 0 22.2718 2.5149 31.9348 H 0 0 0 0 0 0 23.4748 0.1971 32.1618 H 0 0 0 0 0 0 22.6191 0.9694 33.5092 H 0 0 0 0 0 0 23.9356 -0.1431 33.8184 H 0 0 0 0 0 0 1 2 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 2 3 1 0 0 0 2 34 1 0 0 0 2 35 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 36 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 37 1 0 0 0 9 38 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 39 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 40 1 0 0 0 16 41 1 0 0 0 17 28 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 42 1 0 0 0 20 43 1 0 0 0 20 44 1 0 0 0 21 22 2 0 0 0 21 45 1 0 0 0 22 23 1 0 0 0 22 27 1 0 0 0 23 24 2 0 0 0 23 25 2 0 0 0 23 26 1 0 0 0 26 46 1 0 0 0 26 47 1 0 0 0 26 48 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 28 49 1 0 0 0 29 30 1 0 0 0 30 50 1 0 0 0 30 51 1 0 0 0 30 52 1 0 0 0 M END > 0 > -10.093111 $$$$ 18652-1 3D Structure written by MMmdl. 55 56 0 0 1 0 999 V2000 24.4145 10.2466 30.7179 C 0 0 0 0 0 0 23.2191 11.0461 30.1836 C 0 0 0 0 0 0 22.7154 10.5298 28.8282 C 0 0 0 0 0 0 22.1815 11.2380 31.1572 O 0 0 0 0 0 0 21.4027 10.2023 31.6505 C 0 0 0 0 0 0 21.7305 8.9413 31.2769 N 0 0 0 0 0 0 20.9695 7.9245 31.6884 C 0 0 0 0 0 0 19.8692 8.0881 32.5165 C 0 0 0 0 0 0 19.5323 9.3739 32.9065 C 0 0 0 0 0 0 18.4017 9.4816 33.7079 N 0 0 0 0 0 0 20.3042 10.4681 32.4772 C 0 0 0 0 0 0 19.9961 11.8471 32.8385 C 0 0 0 0 0 0 19.7584 12.9445 33.1218 N 0 0 0 0 0 0 21.4458 6.7432 31.1644 N 0 0 0 0 0 0 20.8524 5.5564 31.0443 C 0 0 0 0 0 0 19.7091 5.3135 31.4219 O 0 0 0 0 0 0 21.6443 4.4872 30.3016 C 0 0 0 0 0 0 22.9984 4.1711 30.9304 C 0 0 0 0 0 0 24.1219 4.9619 30.6449 C 0 0 0 0 0 0 23.9394 6.0555 29.8171 O 0 0 0 0 0 0 25.0655 6.8325 29.4151 C 0 0 0 0 0 0 25.3547 4.6081 31.2081 C 0 0 0 0 0 0 25.4606 3.5028 32.0584 C 0 0 0 0 0 0 27.0696 3.0792 32.7393 S 0 0 0 0 0 0 26.9129 2.7675 34.1691 O 0 0 0 0 0 0 28.0400 4.1078 32.3298 O 0 0 0 0 0 0 27.5188 1.5242 31.8684 C 0 0 0 0 0 0 24.3410 2.7135 32.3514 C 0 0 0 0 0 0 23.1128 3.0637 31.7753 C 0 0 0 0 0 0 24.5003 1.6315 33.1956 O 0 0 0 0 0 0 23.5378 0.5806 33.1826 C 0 0 0 0 0 0 24.7415 10.6621 31.6655 H 0 0 0 0 0 0 24.1782 9.1987 30.8859 H 0 0 0 0 0 0 25.2497 10.2777 30.0192 H 0 0 0 0 0 0 23.5910 12.0560 30.0010 H 0 0 0 0 0 0 21.9551 11.1992 28.4337 H 0 0 0 0 0 0 23.5254 10.4948 28.1009 H 0 0 0 0 0 0 22.2876 9.5305 28.8821 H 0 0 0 0 0 0 19.2798 7.2464 32.8395 H 0 0 0 0 0 0 17.9105 8.6432 34.0020 H 0 0 0 0 0 0 18.0224 10.3951 33.9434 H 0 0 0 0 0 0 22.3664 6.8521 30.7686 H 0 0 0 0 0 0 21.0572 3.5783 30.2104 H 0 0 0 0 0 0 21.7884 4.8643 29.2940 H 0 0 0 0 0 0 25.7830 6.2359 28.8495 H 0 0 0 0 0 0 24.7303 7.6423 28.7665 H 0 0 0 0 0 0 25.5715 7.2882 30.2675 H 0 0 0 0 0 0 26.2391 5.1874 30.9959 H 0 0 0 0 0 0 27.5468 1.7068 30.7961 H 0 0 0 0 0 0 28.4945 1.1899 32.2143 H 0 0 0 0 0 0 26.7698 0.7657 32.0904 H 0 0 0 0 0 0 22.2363 2.4667 31.9693 H 0 0 0 0 0 0 22.5553 0.9010 33.5259 H 0 0 0 0 0 0 23.4436 0.1422 32.1903 H 0 0 0 0 0 0 23.8677 -0.2111 33.8548 H 0 0 0 0 0 0 1 2 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 35 1 0 0 0 3 36 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 4 5 1 0 0 0 5 11 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 14 1 0 0 0 8 9 1 0 0 0 8 39 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 10 40 1 0 0 0 10 41 1 0 0 0 11 12 1 0 0 0 12 13 3 0 0 0 14 15 1 0 0 0 14 42 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 17 43 1 0 0 0 17 44 1 0 0 0 18 29 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 21 45 1 0 0 0 21 46 1 0 0 0 21 47 1 0 0 0 22 23 2 0 0 0 22 48 1 0 0 0 23 24 1 0 0 0 23 28 1 0 0 0 24 25 2 0 0 0 24 26 2 0 0 0 24 27 1 0 0 0 27 49 1 0 0 0 27 50 1 0 0 0 27 51 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 29 52 1 0 0 0 30 31 1 0 0 0 31 53 1 0 0 0 31 54 1 0 0 0 31 55 1 0 0 0 M END > 0 > -10.682977 $$$$ 18627-1 3D Structure written by MMmdl. 38 39 0 0 1 0 999 V2000 24.0455 12.2310 30.2644 C 0 0 0 0 0 0 23.3145 10.9118 30.5250 C 0 0 0 0 0 0 22.1664 11.2000 31.3187 O 0 0 0 0 0 0 21.3513 10.1659 31.7455 C 0 0 0 0 0 0 21.6956 8.9024 31.3722 N 0 0 0 0 0 0 20.9003 7.8904 31.7476 C 0 0 0 0 0 0 19.7671 8.0627 32.5273 C 0 0 0 0 0 0 19.4228 9.3455 32.9112 C 0 0 0 0 0 0 18.2685 9.4486 33.6770 N 0 0 0 0 0 0 20.2166 10.4359 32.5197 C 0 0 0 0 0 0 19.9034 11.8154 32.8755 C 0 0 0 0 0 0 19.6627 12.9133 33.1535 N 0 0 0 0 0 0 21.3886 6.6799 31.3021 N 0 0 0 0 0 0 20.7526 5.5183 31.1147 C 0 0 0 0 0 0 19.5388 5.3838 31.2541 O 0 0 0 0 0 0 21.5779 4.2945 30.6927 C 0 0 0 0 0 0 23.0905 4.5085 30.6435 C 0 0 0 0 0 0 23.6658 5.3064 29.6460 C 0 0 0 0 0 0 25.0464 5.5098 29.6200 C 0 0 0 0 0 0 25.8561 4.9156 30.5871 C 0 0 0 0 0 0 27.5599 5.1731 30.5675 Cl 0 0 0 0 0 0 25.2884 4.1164 31.5778 C 0 0 0 0 0 0 23.9087 3.9120 31.6076 C 0 0 0 0 0 0 24.9364 12.0713 29.6579 H 0 0 0 0 0 0 23.4006 12.9310 29.7325 H 0 0 0 0 0 0 24.3505 12.7019 31.1984 H 0 0 0 0 0 0 23.0186 10.4502 29.5804 H 0 0 0 0 0 0 23.9785 10.2165 31.0438 H 0 0 0 0 0 0 19.1622 7.2240 32.8293 H 0 0 0 0 0 0 17.7921 8.6077 33.9893 H 0 0 0 0 0 0 17.8985 10.3613 33.9326 H 0 0 0 0 0 0 22.3727 6.7236 31.1098 H 0 0 0 0 0 0 21.3384 3.4827 31.3789 H 0 0 0 0 0 0 21.2281 3.9764 29.7145 H 0 0 0 0 0 0 23.0434 5.7716 28.8932 H 0 0 0 0 0 0 25.4959 6.1265 28.8545 H 0 0 0 0 0 0 25.9236 3.6580 32.3215 H 0 0 0 0 0 0 23.4814 3.2862 32.3792 H 0 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 30 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 23 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 35 1 0 0 0 19 20 2 0 0 0 19 36 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 22 23 2 0 0 0 22 37 1 0 0 0 23 38 1 0 0 0 M END > 0 > -8.483096 $$$$ 18658-1 3D Structure written by MMmdl. 47 48 0 0 1 0 999 V2000 24.2852 12.3288 28.3276 O 0 0 0 0 0 0 23.5037 12.4810 29.5025 C 0 0 0 0 0 0 22.9866 11.1257 30.0090 C 0 0 0 0 0 0 22.1131 11.3519 31.1177 O 0 0 0 0 0 0 21.3839 10.2942 31.6329 C 0 0 0 0 0 0 21.7293 9.0437 31.2234 N 0 0 0 0 0 0 20.9896 8.0072 31.6469 C 0 0 0 0 0 0 19.9094 8.1489 32.5070 C 0 0 0 0 0 0 19.5594 9.4227 32.9202 C 0 0 0 0 0 0 18.4400 9.5048 33.7395 N 0 0 0 0 0 0 20.3035 10.5324 32.4890 C 0 0 0 0 0 0 19.9761 11.9037 32.8617 C 0 0 0 0 0 0 19.7239 12.9956 33.1512 N 0 0 0 0 0 0 21.4466 6.8222 31.1057 N 0 0 0 0 0 0 20.8624 5.6231 31.0276 C 0 0 0 0 0 0 19.7368 5.3649 31.4500 O 0 0 0 0 0 0 21.6464 4.5487 30.2818 C 0 0 0 0 0 0 23.0171 4.2597 30.8878 C 0 0 0 0 0 0 24.1155 5.0842 30.5962 C 0 0 0 0 0 0 23.8945 6.1740 29.7723 O 0 0 0 0 0 0 24.9287 7.1387 29.5901 C 0 0 0 0 0 0 25.3625 4.7657 31.1517 C 0 0 0 0 0 0 25.4998 3.6732 32.0086 C 0 0 0 0 0 0 24.4115 2.8577 32.3080 C 0 0 0 0 0 0 23.1685 3.1576 31.7364 C 0 0 0 0 0 0 24.6403 1.8060 33.1700 O 0 0 0 0 0 0 23.7219 0.7155 33.1863 C 0 0 0 0 0 0 23.6925 12.1645 27.5705 H 0 0 0 0 0 0 24.1054 12.9602 30.2767 H 0 0 0 0 0 0 22.6668 13.1501 29.2937 H 0 0 0 0 0 0 22.4486 10.6181 29.2048 H 0 0 0 0 0 0 23.8206 10.4854 30.3032 H 0 0 0 0 0 0 19.3382 7.2973 32.8365 H 0 0 0 0 0 0 17.9523 8.6584 34.0161 H 0 0 0 0 0 0 18.0427 10.4109 33.9760 H 0 0 0 0 0 0 22.3576 6.9198 30.6835 H 0 0 0 0 0 0 21.0656 3.6325 30.2173 H 0 0 0 0 0 0 21.7673 4.9118 29.2660 H 0 0 0 0 0 0 25.8009 6.7077 29.0963 H 0 0 0 0 0 0 24.5598 7.9441 28.9547 H 0 0 0 0 0 0 25.2352 7.5868 30.5365 H 0 0 0 0 0 0 26.2360 5.3618 30.9363 H 0 0 0 0 0 0 26.4616 3.4445 32.4445 H 0 0 0 0 0 0 22.3141 2.5340 31.9474 H 0 0 0 0 0 0 24.0963 -0.0558 33.8590 H 0 0 0 0 0 0 22.7347 1.0021 33.5460 H 0 0 0 0 0 0 23.6203 0.2633 32.2001 H 0 0 0 0 0 0 1 2 1 0 0 0 1 28 1 0 0 0 2 3 1 0 0 0 2 29 1 0 0 0 2 30 1 0 0 0 3 4 1 0 0 0 3 31 1 0 0 0 3 32 1 0 0 0 4 5 1 0 0 0 5 11 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 14 1 0 0 0 8 9 1 0 0 0 8 33 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 10 34 1 0 0 0 10 35 1 0 0 0 11 12 1 0 0 0 12 13 3 0 0 0 14 15 1 0 0 0 14 36 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 17 37 1 0 0 0 17 38 1 0 0 0 18 25 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 21 39 1 0 0 0 21 40 1 0 0 0 21 41 1 0 0 0 22 23 2 0 0 0 22 42 1 0 0 0 23 24 1 0 0 0 23 43 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 25 44 1 0 0 0 26 27 1 0 0 0 27 45 1 0 0 0 27 46 1 0 0 0 27 47 1 0 0 0 M END > 0 > -9.699398 $$$$ 18630-1 3D Structure written by MMmdl. 41 42 0 0 1 0 999 V2000 24.0212 12.2423 30.2763 C 0 0 0 0 0 0 23.2929 10.9217 30.5380 C 0 0 0 0 0 0 22.1435 11.2077 31.3313 O 0 0 0 0 0 0 21.3312 10.1711 31.7577 C 0 0 0 0 0 0 21.6809 8.9094 31.3858 N 0 0 0 0 0 0 20.8904 7.8933 31.7600 C 0 0 0 0 0 0 19.7538 8.0604 32.5352 C 0 0 0 0 0 0 19.4031 9.3419 32.9176 C 0 0 0 0 0 0 18.2457 9.4395 33.6789 N 0 0 0 0 0 0 20.1936 10.4361 32.5290 C 0 0 0 0 0 0 19.8748 11.8145 32.8832 C 0 0 0 0 0 0 19.6299 12.9119 33.1596 N 0 0 0 0 0 0 21.3867 6.6852 31.3195 N 0 0 0 0 0 0 20.7626 5.5181 31.1286 C 0 0 0 0 0 0 19.5491 5.3722 31.2624 O 0 0 0 0 0 0 21.6082 4.3050 30.7113 C 0 0 0 0 0 0 23.1035 4.5843 30.5577 C 0 0 0 0 0 0 24.0149 4.0448 31.4691 C 0 0 0 0 0 0 25.3756 4.3277 31.3494 C 0 0 0 0 0 0 25.8350 5.1529 30.3201 C 0 0 0 0 0 0 27.3129 5.4673 30.1984 C 0 0 0 0 0 0 24.9278 5.6839 29.4014 C 0 0 0 0 0 0 23.5681 5.4012 29.5204 C 0 0 0 0 0 0 24.9125 12.0836 29.6701 H 0 0 0 0 0 0 23.3751 12.9405 29.7437 H 0 0 0 0 0 0 24.3253 12.7145 31.2099 H 0 0 0 0 0 0 22.9984 10.4586 29.5936 H 0 0 0 0 0 0 23.9584 10.2281 31.0572 H 0 0 0 0 0 0 19.1525 7.2183 32.8345 H 0 0 0 0 0 0 17.7760 8.5960 33.9948 H 0 0 0 0 0 0 17.8735 10.3508 33.9369 H 0 0 0 0 0 0 22.3717 6.7302 31.1256 H 0 0 0 0 0 0 21.4430 3.5138 31.4423 H 0 0 0 0 0 0 21.2203 3.9323 29.7668 H 0 0 0 0 0 0 23.6745 3.4074 32.2732 H 0 0 0 0 0 0 26.0730 3.9081 32.0605 H 0 0 0 0 0 0 27.8096 4.7114 29.5901 H 0 0 0 0 0 0 27.4730 6.4405 29.7324 H 0 0 0 0 0 0 27.7937 5.4911 31.1768 H 0 0 0 0 0 0 25.2772 6.3171 28.5974 H 0 0 0 0 0 0 22.8717 5.8252 28.8104 H 0 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 30 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 23 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 35 1 0 0 0 19 20 2 0 0 0 19 36 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 21 37 1 0 0 0 21 38 1 0 0 0 21 39 1 0 0 0 22 23 2 0 0 0 22 40 1 0 0 0 23 41 1 0 0 0 M END > 0 > -9.142359 $$$$ 18639-1 3D Structure written by MMmdl. 48 49 0 0 1 0 999 V2000 24.2764 10.8583 30.5311 C 0 0 0 0 0 0 22.8724 11.1948 30.0242 C 0 0 0 0 0 0 21.9935 11.3729 31.1346 O 0 0 0 0 0 0 21.3005 10.2943 31.6577 C 0 0 0 0 0 0 21.6713 9.0502 31.2482 N 0 0 0 0 0 0 20.9501 8.0000 31.6666 C 0 0 0 0 0 0 19.8665 8.1184 32.5257 C 0 0 0 0 0 0 19.4926 9.3843 32.9417 C 0 0 0 0 0 0 18.3660 9.4440 33.7525 N 0 0 0 0 0 0 20.2180 10.5087 32.5170 C 0 0 0 0 0 0 19.8684 11.8729 32.8958 C 0 0 0 0 0 0 19.5992 12.9596 33.1898 N 0 0 0 0 0 0 21.4272 6.8285 31.1136 N 0 0 0 0 0 0 20.8583 5.6230 31.0220 C 0 0 0 0 0 0 19.7390 5.3452 31.4465 O 0 0 0 0 0 0 21.6500 4.5669 30.2607 C 0 0 0 0 0 0 23.0147 4.2719 30.8751 C 0 0 0 0 0 0 24.1184 5.0810 30.5810 C 0 0 0 0 0 0 23.9097 6.1670 29.7482 O 0 0 0 0 0 0 24.9546 7.1169 29.5477 C 0 0 0 0 0 0 25.3567 4.7546 31.1456 C 0 0 0 0 0 0 25.5076 3.6737 32.0309 C 0 0 0 0 0 0 26.8469 3.4094 32.6231 N 0 3 0 0 0 0 26.9382 2.7388 33.6465 O 0 5 0 0 0 0 27.8303 3.9025 32.0768 O 0 0 0 0 0 0 24.3855 2.8726 32.3281 C 0 0 0 0 0 0 23.1530 3.1840 31.7378 C 0 0 0 0 0 0 24.5282 1.8156 33.2068 O 0 0 0 0 0 0 23.6287 0.7111 33.1397 C 0 0 0 0 0 0 24.9811 10.7710 29.7049 H 0 0 0 0 0 0 24.6265 11.6406 31.2026 H 0 0 0 0 0 0 24.2796 9.9166 31.0795 H 0 0 0 0 0 0 22.9068 12.1390 29.4793 H 0 0 0 0 0 0 22.5079 10.4570 29.3055 H 0 0 0 0 0 0 19.3078 7.2565 32.8493 H 0 0 0 0 0 0 17.8988 8.5880 34.0374 H 0 0 0 0 0 0 17.9566 10.3437 33.9935 H 0 0 0 0 0 0 22.3301 6.9544 30.6849 H 0 0 0 0 0 0 21.0732 3.6498 30.1768 H 0 0 0 0 0 0 21.7742 4.9478 29.2516 H 0 0 0 0 0 0 25.2823 7.5646 30.4872 H 0 0 0 0 0 0 25.8130 6.6724 29.0416 H 0 0 0 0 0 0 24.5873 7.9254 28.9151 H 0 0 0 0 0 0 26.2202 5.3584 30.9137 H 0 0 0 0 0 0 22.2857 2.5791 31.9490 H 0 0 0 0 0 0 23.9634 -0.0596 33.8336 H 0 0 0 0 0 0 22.6108 0.9729 33.4250 H 0 0 0 0 0 0 23.6162 0.2649 32.1465 H 0 0 0 0 0 0 1 2 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 2 3 1 0 0 0 2 33 1 0 0 0 2 34 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 35 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 36 1 0 0 0 9 37 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 38 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 39 1 0 0 0 16 40 1 0 0 0 17 27 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 41 1 0 0 0 20 42 1 0 0 0 20 43 1 0 0 0 21 22 2 0 0 0 21 44 1 0 0 0 22 23 1 0 0 0 22 26 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 27 45 1 0 0 0 28 29 1 0 0 0 29 46 1 0 0 0 29 47 1 0 0 0 29 48 1 0 0 0 M CHG 2 23 1 24 -1 M END > 0 > -9.740725 $$$$ 18631-1 3D Structure written by MMmdl. 42 43 0 0 1 0 999 V2000 24.0755 12.4055 30.2451 C 0 0 0 0 0 0 23.3424 11.0801 30.4647 C 0 0 0 0 0 0 22.2047 11.3422 31.2813 O 0 0 0 0 0 0 21.4058 10.2921 31.7002 C 0 0 0 0 0 0 21.7494 9.0415 31.2875 N 0 0 0 0 0 0 20.9744 8.0116 31.6611 C 0 0 0 0 0 0 19.8654 8.1565 32.4823 C 0 0 0 0 0 0 19.5167 9.4285 32.8985 C 0 0 0 0 0 0 18.3785 9.5086 33.6918 N 0 0 0 0 0 0 20.2859 10.5348 32.5034 C 0 0 0 0 0 0 19.9577 11.9052 32.8782 C 0 0 0 0 0 0 19.7043 12.9964 33.1698 N 0 0 0 0 0 0 21.4335 6.8284 31.1203 N 0 0 0 0 0 0 20.8529 5.6284 31.0363 C 0 0 0 0 0 0 19.7241 5.3670 31.4482 O 0 0 0 0 0 0 21.6449 4.5576 30.2938 C 0 0 0 0 0 0 23.0457 4.3201 30.8547 C 0 0 0 0 0 0 24.1118 5.1697 30.5127 C 0 0 0 0 0 0 23.8316 6.2511 29.6969 O 0 0 0 0 0 0 24.8029 7.2847 29.5518 C 0 0 0 0 0 0 25.3922 4.8833 31.0087 C 0 0 0 0 0 0 25.6006 3.7978 31.8588 C 0 0 0 0 0 0 24.5324 2.9786 32.2141 C 0 0 0 0 0 0 23.2600 3.2339 31.7089 C 0 0 0 0 0 0 24.9598 12.2663 29.6240 H 0 0 0 0 0 0 23.4276 13.1271 29.7470 H 0 0 0 0 0 0 24.3914 12.8398 31.1933 H 0 0 0 0 0 0 23.0335 10.6532 29.5079 H 0 0 0 0 0 0 24.0108 10.3654 30.9504 H 0 0 0 0 0 0 19.2721 7.3090 32.7814 H 0 0 0 0 0 0 17.8994 8.6601 33.9762 H 0 0 0 0 0 0 17.9919 10.4140 33.9478 H 0 0 0 0 0 0 22.3442 6.9276 30.6984 H 0 0 0 0 0 0 21.0871 3.6245 30.2719 H 0 0 0 0 0 0 21.7205 4.9000 29.2670 H 0 0 0 0 0 0 25.0949 7.7043 30.5163 H 0 0 0 0 0 0 25.6927 6.9310 29.0289 H 0 0 0 0 0 0 24.3775 8.0953 28.9600 H 0 0 0 0 0 0 26.2390 5.4990 30.7480 H 0 0 0 0 0 0 26.5905 3.5910 32.2418 H 0 0 0 0 0 0 24.6928 2.1325 32.8676 H 0 0 0 0 0 0 22.4448 2.5727 31.9713 H 0 0 0 0 0 0 1 2 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 2 3 1 0 0 0 2 28 1 0 0 0 2 29 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 30 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 33 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 34 1 0 0 0 16 35 1 0 0 0 17 24 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 36 1 0 0 0 20 37 1 0 0 0 20 38 1 0 0 0 21 22 2 0 0 0 21 39 1 0 0 0 22 23 1 0 0 0 22 40 1 0 0 0 23 24 2 0 0 0 23 41 1 0 0 0 24 42 1 0 0 0 M END > 0 > -9.413821 $$$$ 18632-1 3D Structure written by MMmdl. 42 43 0 0 1 0 999 V2000 22.8348 10.6133 29.0685 C 0 0 0 0 0 0 23.2564 10.8543 30.5245 C 0 0 0 0 0 0 22.1208 11.1384 31.3461 O 0 0 0 0 0 0 21.3028 10.1143 31.7943 C 0 0 0 0 0 0 21.6562 8.8449 31.4620 N 0 0 0 0 0 0 20.8562 7.8405 31.8366 C 0 0 0 0 0 0 19.7056 8.0208 32.5847 C 0 0 0 0 0 0 19.3552 9.3103 32.9399 C 0 0 0 0 0 0 18.1854 9.4218 33.6784 N 0 0 0 0 0 0 20.1562 10.3962 32.5462 C 0 0 0 0 0 0 19.8394 11.7813 32.8754 C 0 0 0 0 0 0 19.5962 12.8840 33.1326 N 0 0 0 0 0 0 21.3594 6.6315 31.4180 N 0 0 0 0 0 0 20.7263 5.4857 31.1542 C 0 0 0 0 0 0 19.5060 5.3615 31.2301 O 0 0 0 0 0 0 21.5718 4.2763 30.7231 C 0 0 0 0 0 0 23.0667 4.5575 30.5721 C 0 0 0 0 0 0 23.9662 4.1691 31.5713 C 0 0 0 0 0 0 25.3371 4.3576 31.4206 C 0 0 0 0 0 0 26.1329 3.8953 32.4456 O 0 0 0 0 0 0 27.5411 4.0836 32.3620 C 0 0 0 0 0 0 25.8096 4.9784 30.2546 C 0 0 0 0 0 0 24.9199 5.3917 29.2621 C 0 0 0 0 0 0 23.5514 5.1788 29.4197 C 0 0 0 0 0 0 23.7034 10.4793 28.4246 H 0 0 0 0 0 0 22.2151 9.7218 28.9748 H 0 0 0 0 0 0 22.2619 11.4575 28.6854 H 0 0 0 0 0 0 23.8512 10.0252 30.9148 H 0 0 0 0 0 0 23.9087 11.7271 30.5637 H 0 0 0 0 0 0 19.0962 7.1839 32.8816 H 0 0 0 0 0 0 17.7193 8.5829 34.0117 H 0 0 0 0 0 0 17.8208 10.3375 33.9319 H 0 0 0 0 0 0 22.3511 6.6746 31.2616 H 0 0 0 0 0 0 21.4061 3.4780 31.4455 H 0 0 0 0 0 0 21.1892 3.9164 29.7717 H 0 0 0 0 0 0 23.6107 3.6888 32.4714 H 0 0 0 0 0 0 28.0177 3.6454 33.2382 H 0 0 0 0 0 0 27.9621 3.5934 31.4852 H 0 0 0 0 0 0 27.8009 5.1430 32.3415 H 0 0 0 0 0 0 26.8653 5.1405 30.1016 H 0 0 0 0 0 0 25.2923 5.8694 28.3662 H 0 0 0 0 0 0 22.8725 5.4956 28.6399 H 0 0 0 0 0 0 1 2 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 2 3 1 0 0 0 2 28 1 0 0 0 2 29 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 30 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 33 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 34 1 0 0 0 16 35 1 0 0 0 17 24 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 36 1 0 0 0 19 20 1 0 0 0 19 22 2 0 0 0 20 21 1 0 0 0 21 37 1 0 0 0 21 38 1 0 0 0 21 39 1 0 0 0 22 23 1 0 0 0 22 40 1 0 0 0 23 24 2 0 0 0 23 41 1 0 0 0 24 42 1 0 0 0 M END > 0 > -9.083236 $$$$ 18636-1 3D Structure written by MMmdl. 38 39 0 0 1 0 999 V2000 23.9795 12.4589 30.2880 C 0 0 0 0 0 0 23.2747 11.1170 30.5005 C 0 0 0 0 0 0 22.1368 11.3490 31.3273 O 0 0 0 0 0 0 21.3560 10.2807 31.7346 C 0 0 0 0 0 0 21.7259 9.0407 31.3145 N 0 0 0 0 0 0 20.9683 7.9946 31.6702 C 0 0 0 0 0 0 19.8451 8.1072 32.4773 C 0 0 0 0 0 0 19.4687 9.3702 32.9032 C 0 0 0 0 0 0 18.3178 9.4274 33.6812 N 0 0 0 0 0 0 20.2247 10.4942 32.5296 C 0 0 0 0 0 0 19.8737 11.8560 32.9146 C 0 0 0 0 0 0 19.6036 12.9410 33.2135 N 0 0 0 0 0 0 21.4728 6.8392 31.1131 N 0 0 0 0 0 0 20.9423 5.6177 31.0115 C 0 0 0 0 0 0 19.8423 5.2962 31.4542 O 0 0 0 0 0 0 21.7561 4.6026 30.2160 C 0 0 0 0 0 0 23.0783 4.2283 30.8823 C 0 0 0 0 0 0 23.1375 3.3173 31.9518 C 0 0 0 0 0 0 21.5740 2.4705 32.6412 Br 0 0 0 0 0 0 24.3634 3.0176 32.5456 C 0 0 0 0 0 0 25.5365 3.6080 32.0767 C 0 0 0 0 0 0 25.4840 4.5100 31.0173 C 0 0 0 0 0 0 27.0825 5.3242 30.3860 Br 0 0 0 0 0 0 24.2614 4.8204 30.4251 C 0 0 0 0 0 0 24.8608 12.3428 29.6579 H 0 0 0 0 0 0 23.3134 13.1725 29.8027 H 0 0 0 0 0 0 24.2960 12.8898 31.2373 H 0 0 0 0 0 0 22.9681 10.6932 29.5416 H 0 0 0 0 0 0 23.9606 10.4107 30.9741 H 0 0 0 0 0 0 19.2630 7.2454 32.7565 H 0 0 0 0 0 0 17.8620 8.5711 33.9829 H 0 0 0 0 0 0 17.9267 10.3270 33.9514 H 0 0 0 0 0 0 22.3648 7.0193 30.6863 H 0 0 0 0 0 0 21.1607 3.7065 30.0526 H 0 0 0 0 0 0 21.9267 5.0299 29.2321 H 0 0 0 0 0 0 24.3992 2.3224 33.3727 H 0 0 0 0 0 0 26.4874 3.3749 32.5341 H 0 0 0 0 0 0 24.2431 5.5409 29.6199 H 0 0 0 0 0 0 1 2 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 1 27 1 0 0 0 2 3 1 0 0 0 2 28 1 0 0 0 2 29 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 30 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 31 1 0 0 0 9 32 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 33 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 34 1 0 0 0 16 35 1 0 0 0 17 24 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 20 21 2 0 0 0 20 36 1 0 0 0 21 22 1 0 0 0 21 37 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 24 38 1 0 0 0 M END > 0 > -7.512318 $$$$ 18626-1 3D Structure written by MMmdl. 38 39 0 0 1 0 999 V2000 23.9635 12.4497 30.2903 C 0 0 0 0 0 0 23.2574 11.1110 30.5189 C 0 0 0 0 0 0 22.1169 11.3548 31.3379 O 0 0 0 0 0 0 21.3337 10.2929 31.7571 C 0 0 0 0 0 0 21.7030 9.0460 31.3553 N 0 0 0 0 0 0 20.9397 8.0077 31.7246 C 0 0 0 0 0 0 19.8167 8.1342 32.5272 C 0 0 0 0 0 0 19.4419 9.4023 32.9317 C 0 0 0 0 0 0 18.2880 9.4650 33.7017 N 0 0 0 0 0 0 20.2000 10.5200 32.5451 C 0 0 0 0 0 0 19.8477 11.8875 32.9079 C 0 0 0 0 0 0 19.5764 12.9770 33.1888 N 0 0 0 0 0 0 21.4299 6.8386 31.1872 N 0 0 0 0 0 0 20.8469 5.6461 31.0336 C 0 0 0 0 0 0 19.7112 5.3701 31.4141 O 0 0 0 0 0 0 21.6405 4.6099 30.2450 C 0 0 0 0 0 0 23.0890 4.4692 30.6919 C 0 0 0 0 0 0 23.4115 3.6311 31.7625 C 0 0 0 0 0 0 24.7308 3.5231 32.1964 C 0 0 0 0 0 0 25.1131 2.5196 33.5455 Cl 0 0 0 0 0 0 25.7377 4.2389 31.5498 C 0 0 0 0 0 0 25.4251 5.0710 30.4731 C 0 0 0 0 0 0 24.1019 5.1880 30.0463 C 0 0 0 0 0 0 24.8475 12.3245 29.6656 H 0 0 0 0 0 0 23.2997 13.1565 29.7922 H 0 0 0 0 0 0 24.2763 12.8938 31.2348 H 0 0 0 0 0 0 22.9540 10.6743 29.5648 H 0 0 0 0 0 0 23.9412 10.4115 31.0051 H 0 0 0 0 0 0 19.2327 7.2769 32.8172 H 0 0 0 0 0 0 17.8294 8.6094 34.0005 H 0 0 0 0 0 0 17.8922 10.3658 33.9622 H 0 0 0 0 0 0 22.3541 6.9752 30.8225 H 0 0 0 0 0 0 21.1451 3.6416 30.2910 H 0 0 0 0 0 0 21.5984 4.9434 29.2151 H 0 0 0 0 0 0 22.6442 3.0568 32.2589 H 0 0 0 0 0 0 26.7584 4.1509 31.8923 H 0 0 0 0 0 0 26.2071 5.6291 29.9754 H 0 0 0 0 0 0 23.8712 5.8362 29.2115 H 0 0 0 0 0 0 1 2 1 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 1 26 1 0 0 0 2 3 1 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 4 1 0 0 0 4 10 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 13 1 0 0 0 7 8 1 0 0 0 7 29 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 9 30 1 0 0 0 9 31 1 0 0 0 10 11 1 0 0 0 11 12 3 0 0 0 13 14 1 0 0 0 13 32 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 16 33 1 0 0 0 16 34 1 0 0 0 17 23 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 18 35 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 21 22 1 0 0 0 21 36 1 0 0 0 22 23 2 0 0 0 22 37 1 0 0 0 23 38 1 0 0 0 M END > 0 > -8.872536 $$$$