IFLAB-ZINC04315330 MOE2007 3D Structure written by MMmdl. 51 54 0 0 1 0 0 0 0 0999 V2000 -12.0970 1.0620 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 2.1520 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5000 3.4880 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5760 4.4990 2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2320 4.2000 2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 2.8490 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7640 1.8410 2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 2.4410 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7790 1.3090 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 1.4200 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 1.4380 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 2.5520 -0.8720 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6490 3.5170 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 2.4660 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 2.6030 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 1.6020 -0.9570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 0.6550 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.0210 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 1.3520 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 2.1130 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 3.4650 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 4.1240 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 3.3580 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 5.3390 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5320 0.7190 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6230 0.2120 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9020 1.4160 4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5360 3.7540 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9210 5.5320 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4630 0.7940 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 1.4380 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 3.1310 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 1.3940 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4060 0.3680 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 2.3350 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9530 0.5790 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8240 1.5690 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 0.4660 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 1.5600 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 3.3410 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 0.3140 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 1.6480 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 4.0110 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 5.1600 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 5.2760 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7810 6.3090 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 5.3290 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 3.6640 -1.5480 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4970 4.5720 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 2.4420 0.8630 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4970 3.3160 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 48 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 48 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 48 1 M CHG 1 50 1 M END