IBS-ZINC04844213 MOE2007 3D Structure written by MMmdl. 43 43 0 0 1 0 0 0 0 0999 V2000 2.3140 1.3160 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.6540 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5160 2.7480 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 1.0550 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 1.0620 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 1.3220 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.6110 -1.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6320 1.0080 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 1.1710 0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0570 0.0700 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 1.5840 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 1.2950 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 0.8250 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -0.6850 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 1.2280 3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 3.0870 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.7520 -3.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 0.2490 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 1.5700 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 1.8840 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 1.6180 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 0.0170 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.3260 -3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 1.1610 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 2.6700 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 0.7670 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 2.3750 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 1.3290 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -0.9970 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.9880 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 -1.2390 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 2.3130 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0380 0.9390 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 0.7500 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 3.7560 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 3.3370 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 3.3190 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -0.2380 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 0.7550 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 1.4940 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 1.0380 1.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0390 0.0250 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 1.4410 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 41 1 M END