COMGENEX-ZINC04155521 MOE2007 3D Structure written by MMmdl. 59 61 0 0 1 0 0 0 0 0999 V2000 1.3410 5.4120 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 4.1020 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 4.2390 -2.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 3.1270 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 2.0760 -2.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 3.3940 -4.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4730 4.1730 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 2.1330 -4.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 3.9850 -5.5890 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 4.4420 -6.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 5.5180 -8.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 4.6560 -9.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 3.9800 -8.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 2.9890 -8.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.5700 -8.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.4940 -8.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 0.4360 -7.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 0.7580 -8.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 0.7230 -7.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 0.3680 -6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 0.0400 -5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 0.0700 -6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.8900 -9.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.3390 -8.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -2.6210 -9.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -3.4780 -9.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -3.0560 -10.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.7730 -10.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 4.4420 -10.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 5.3020 -10.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 5.3570 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 6.2330 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 5.6620 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 3.2940 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 3.8760 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 2.3180 -5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 1.3170 -5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 1.7730 -4.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 6.2380 -8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 3.2400 -9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 3.0960 -8.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 1.3970 -7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 1.5030 -9.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 0.8260 -9.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.0350 -9.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 0.9690 -7.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 0.3380 -5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -0.2440 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -0.2070 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.7080 -8.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.9540 -8.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -4.4760 -10.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -3.7250 -11.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -1.4690 -10.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 4.6630 -10.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 3.4050 -10.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 5.1230 -11.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 5.3660 -6.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6160 5.8960 -6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 58 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 11 58 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END