KEYORGANICS-ZINC01398174 MOE2007 3D Structure written by MMmdl. 50 53 0 0 0 0 0 0 0 0999 V2000 3.8550 4.2850 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 3.3540 -0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 2.5370 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 1.8410 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 2.3320 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 3.2260 0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 1.9220 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 2.0220 2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 1.5690 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 1.0190 4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 0.9310 4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 1.3840 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 0.8100 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.2310 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -2.5460 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -3.3990 0.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -2.7910 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.4630 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -4.7380 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -5.7080 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -7.0640 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -7.4840 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -6.5480 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -5.1950 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 2.4910 -2.9320 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 3.7260 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 5.0100 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 4.8050 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 2.4700 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 1.6540 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 0.6710 5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 0.5150 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 1.3150 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 0.6430 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.1420 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -1.4010 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -0.5520 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -2.3250 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.0320 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.6170 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -3.4370 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.9400 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.6260 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -5.4240 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -7.7890 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -8.5350 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -6.8660 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -4.4970 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.5430 0.2190 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1150 -0.3880 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END