OAKWOOD-ZINC02599639 MOE2007 3D Structure written by MMmdl. 58 62 0 0 0 0 0 0 0 0999 V2000 -2.4780 0.9950 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 1.6680 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 3.0360 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 3.7290 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.0960 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 1.8490 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.0860 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 2.5340 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.5770 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 4.9270 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 4.2900 2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 4.5170 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 6.7780 4.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 6.5760 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 2.4980 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 3.4020 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 3.3900 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 2.4740 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 1.5510 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 1.5570 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0350 2.4760 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 1.2910 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1610 1.2910 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8560 2.4760 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 3.6620 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7590 3.6620 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 0.9200 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 1.5600 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -0.0190 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 3.4930 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 4.7450 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 0.0800 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 5.2550 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 5.6420 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 3.2340 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 4.6100 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 4.0520 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 4.1250 4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 7.8260 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 6.4400 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 6.9760 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 7.0590 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 4.1190 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 4.0980 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 0.8200 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 0.8240 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 0.3530 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7070 0.3650 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9430 2.4750 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 4.5870 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 4.6030 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.4840 -0.5580 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7650 0.5920 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 5.0880 2.2840 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1800 4.7190 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 5.9810 4.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3890 6.3720 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 6.0980 5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 52 2 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 54 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 56 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 M CHG 1 52 1 M CHG 1 54 1 M CHG 1 56 1 M END