IBS-ZINC02239267 MOE2007 3D Structure written by MMmdl. 39 42 0 0 1 0 0 0 0 0999 V2000 1.8740 5.4430 -7.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 5.3600 -6.1240 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 4.9990 -4.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 5.7630 -3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 5.4960 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 4.4440 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 3.6810 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 3.9510 -4.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 4.1760 -0.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3390 4.7270 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 4.6350 -0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 3.8160 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 2.5010 0.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 2.0700 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 2.7870 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 1.9860 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 2.2550 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 1.1690 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -0.1150 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.3740 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.7120 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 4.4560 -7.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 6.1370 -6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 5.8040 -8.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 6.5790 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 6.1190 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 2.8570 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 3.3210 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 5.6060 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 1.9030 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 3.2380 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 1.3180 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -0.9250 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -1.3560 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 5.3310 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 0.8220 0.5080 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5270 0.0540 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 4.3490 0.2520 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7000 3.7940 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 38 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 36 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 36 1 M CHG 1 38 1 M END