IBS-ZINC02590373 MOE2007 3D Structure written by MMmdl. 53 55 0 0 1 0 0 0 0 0999 V2000 6.9590 5.0160 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 5.0590 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 5.9280 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 7.4300 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 3.8960 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 4.0770 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 2.7820 -1.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8650 3.3680 -2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 3.4590 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 3.1040 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.5890 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.8450 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 1.4030 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 0.4960 -2.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 0.6310 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.6790 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -0.4830 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -1.5390 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.7570 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.9200 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.8840 -3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -3.8970 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 4.9350 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 5.9280 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 4.1600 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4220 4.1460 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5990 5.9150 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 5.5070 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 5.7020 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 7.9280 -3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 7.8220 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 7.7120 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 3.3270 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 3.3550 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 4.5820 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 4.6420 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 4.5480 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 3.1670 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 3.4520 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 3.6310 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 1.2800 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 1.3540 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -1.4090 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -3.8690 -3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -2.0210 -4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -4.5050 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -3.5290 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -4.5320 -2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 5.2300 -1.5690 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0970 5.8620 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 2.7420 -1.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8310 2.2260 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 2.1500 -2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 49 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 49 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 51 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 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 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 49 1 M CHG 1 51 1 M END