IFLAB-ZINC04315388 MOE2007 3D Structure written by MMmdl. 45 48 0 0 1 0 0 0 0 0999 V2000 1.2770 1.9470 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 3.3280 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 4.0070 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 3.2300 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.8660 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 1.1770 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 1.4440 0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 0.4800 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 2.4660 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 2.4170 0.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0480 3.3940 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 1.3280 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 1.3160 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3000 1.1860 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 2.3010 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 2.4150 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9170 1.2390 -3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 1.1770 -4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 0.0810 -5.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 -0.9690 -5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 -0.9160 -4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8400 0.1840 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -2.1710 -4.7480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -2.2960 -6.4970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 1.4670 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 3.8800 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 5.0650 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.1170 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 0.3460 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 1.4830 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 0.4840 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 2.2380 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 0.2370 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 1.2750 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 3.1500 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 1.3690 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2620 2.5990 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 3.3300 -3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 1.9850 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 0.0550 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 0.2160 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 3.5480 0.5650 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8600 4.4780 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 2.3100 -1.4460 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9920 3.1830 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 42 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 44 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 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 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 42 1 M CHG 1 44 1 M END