MAC-0002655 SciTegic08210911093D 30 31 0 0 0 0 999 V2000 -1.5120 -2.8600 0.2930 N 0 0 0 0 0 0 0 0 0 1 0 0 -1.6210 -1.5300 0.1580 C 0 0 0 0 0 0 0 0 0 2 0 0 -2.9030 -1.0080 0.1130 N 0 0 0 0 0 0 0 0 0 3 0 0 -3.0860 0.3530 -0.0200 C 0 0 0 0 0 0 0 0 0 4 0 0 -4.3320 0.8400 -0.0550 N 0 0 0 0 0 0 0 0 0 5 0 0 -0.4850 -0.6660 0.0640 C 0 0 0 0 0 0 0 0 0 6 0 0 -0.7250 0.7400 -0.0780 C 0 0 0 0 0 0 0 0 0 7 0 0 -2.0220 1.2260 -0.1170 N 0 0 0 0 0 0 0 0 0 8 0 0 1.8870 1.1540 1.7770 C 0 0 0 0 0 0 0 0 0 9 0 0 1.7620 1.1660 0.2480 C 0 0 1 0 0 0 0 0 0 10 0 0 1.9960 -0.2310 -0.3500 C 0 0 1 0 0 0 0 0 0 11 0 0 0.9060 -1.2090 0.1290 C 0 0 0 0 0 0 0 0 0 12 0 0 0.3920 1.7150 -0.2010 C 0 0 0 0 0 0 0 0 0 13 0 0 2.0700 -0.1820 -1.8830 C 0 0 0 0 0 0 0 0 0 14 0 0 -2.3130 -3.4570 0.3320 H 0 0 0 0 0 0 0 0 0 15 0 0 -0.6080 -3.2810 0.3550 H 0 0 0 0 0 0 0 0 0 16 0 0 -4.5160 1.8180 -0.1500 H 0 0 0 0 0 0 0 0 0 17 0 0 -5.1130 0.2210 0.0140 H 0 0 0 0 0 0 0 0 0 18 0 0 1.8200 2.1660 2.1780 H 0 0 0 0 0 0 0 0 0 19 0 0 1.1010 0.5450 2.2230 H 0 0 0 0 0 0 0 0 0 20 0 0 2.8460 0.7380 2.0820 H 0 0 0 0 0 0 0 0 0 21 0 0 2.5350 1.8380 -0.1250 H 0 0 0 0 0 0 0 0 0 22 0 0 2.9590 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 23 0 0 1.1050 -1.4830 1.1660 H 0 0 0 0 0 0 0 0 0 24 0 0 0.9800 -2.1330 -0.4470 H 0 0 0 0 0 0 0 0 0 25 0 0 0.4550 2.0170 -1.2460 H 0 0 0 0 0 0 0 0 0 26 0 0 0.1620 2.6230 0.3610 H 0 0 0 0 0 0 0 0 0 27 0 0 2.8120 0.5370 -2.2310 H 0 0 0 0 0 0 0 0 0 28 0 0 1.1070 0.1010 -2.3050 H 0 0 0 0 0 0 0 0 0 29 0 0 2.3380 -1.1580 -2.2850 H 0 0 0 0 0 0 0 0 0 30 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 4 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 6 1 0 7 13 1 0 13 10 1 0 14 11 1 0 1 15 1 0 1 16 1 0 5 17 1 0 5 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 M END > MAC-0002655 > 0 > 1 > 2 > 0 > 0.00000 > 0.88801 > 0.65613 > conformation 1 $$$$ MAC-0002655 SciTegic08210911093D 30 31 0 0 0 0 999 V2000 -1.6892 -2.8539 -0.4865 N 0 0 0 0 0 0 0 0 0 1 0 0 -1.7941 -1.5439 -0.2244 C 0 0 0 0 0 0 0 0 0 2 0 0 -3.0701 -1.0339 -0.0634 N 0 0 0 0 0 0 0 0 0 3 0 0 -3.2471 0.3091 0.2057 C 0 0 0 0 0 0 0 0 0 4 0 0 -4.4891 0.7831 0.3527 N 0 0 0 0 0 0 0 0 0 5 0 0 -0.6511 -0.6870 -0.1133 C 0 0 0 0 0 0 0 0 0 6 0 0 -0.8841 0.6960 0.1748 C 0 0 0 0 0 0 0 0 0 7 0 0 -2.1770 1.1730 0.3258 N 0 0 0 0 0 0 0 0 0 8 0 0 2.7140 2.1119 0.1870 C 0 0 0 0 0 0 0 0 0 9 0 0 1.5820 1.1689 -0.2361 C 0 0 1 0 0 0 0 0 0 10 0 0 1.8479 -0.2821 0.2028 C 0 0 1 0 0 0 0 0 0 11 0 0 0.7309 -1.2150 -0.3013 C 0 0 0 0 0 0 0 0 0 12 0 0 0.2360 1.6609 0.3249 C 0 0 0 0 0 0 0 0 0 13 0 0 3.2179 -0.7791 -0.2712 C 0 0 0 0 0 0 0 0 0 14 0 0 -2.4922 -3.4489 -0.5405 H 0 0 0 0 0 0 0 0 0 15 0 0 -0.7902 -3.2659 -0.6345 H 0 0 0 0 0 0 0 0 0 16 0 0 -4.6670 1.7491 0.5488 H 0 0 0 0 0 0 0 0 0 17 0 0 -5.2731 0.1701 0.2667 H 0 0 0 0 0 0 0 0 0 18 0 0 2.4620 3.1459 -0.0459 H 0 0 0 0 0 0 0 0 0 19 0 0 2.9080 2.0248 1.2560 H 0 0 0 0 0 0 0 0 0 20 0 0 3.6360 1.8669 -0.3400 H 0 0 0 0 0 0 0 0 0 21 0 0 1.5280 1.1900 -1.3271 H 0 0 0 0 0 0 0 0 0 22 0 0 1.8509 -0.3072 1.2938 H 0 0 0 0 0 0 0 0 0 23 0 0 0.8319 -2.1811 0.1967 H 0 0 0 0 0 0 0 0 0 24 0 0 0.8669 -1.4019 -1.3673 H 0 0 0 0 0 0 0 0 0 25 0 0 -0.0250 2.6060 -0.1530 H 0 0 0 0 0 0 0 0 0 26 0 0 0.3410 1.8719 1.3910 H 0 0 0 0 0 0 0 0 0 27 0 0 4.0359 -0.2322 0.2009 H 0 0 0 0 0 0 0 0 0 28 0 0 3.3199 -0.6590 -1.3502 H 0 0 0 0 0 0 0 0 0 29 0 0 3.3459 -1.8341 -0.0402 H 0 0 0 0 0 0 0 0 0 30 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 4 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 6 1 0 7 13 1 0 13 10 1 0 14 11 1 0 1 15 1 0 1 16 1 0 5 17 1 0 5 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 M END > MAC-0002655 > 0 > 2 > 2 > 0.888009129796112 > 0.88801 > 0.00000 > 0.60142 > conformation 2 $$$$