IBS-ZINC04674551 MOE2007 3D Structure written by MMmdl. 59 62 0 0 0 0 0 0 0 0999 V2000 3.6890 7.5310 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 6.4100 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 5.1770 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 4.1150 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 4.2570 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 5.4930 2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 6.5710 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 7.8730 2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 3.2070 2.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.9030 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.3480 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -0.0370 3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.7480 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.1440 3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.0800 3.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 1.2830 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 2.2810 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 2.1400 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 1.0420 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 0.0220 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 0.1720 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.0590 4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -3.1290 5.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -0.5810 4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 2.1780 3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 2.0330 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 2.9340 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 2.8620 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 2.5550 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 8.3830 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 7.2250 6.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 7.8470 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 5.0300 6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 3.1810 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 5.6250 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 8.6800 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 8.1180 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 7.8250 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 3.4450 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.1210 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 2.9030 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 0.9800 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -0.8410 3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -0.5240 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -1.6330 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.0260 5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 3.2390 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 1.9220 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 0.9870 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 2.2880 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 3.9730 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 1.8440 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 3.5260 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 3.1710 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 2.7250 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 3.1610 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 1.5010 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -0.6720 4.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4040 -1.5750 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 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 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 58 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 58 1 0 0 0 0 22 23 3 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END