IBS-ZINC04194004 MOE2007 3D Structure written by MMmdl. 53 56 0 0 0 0 0 0 0 0999 V2000 4.4100 5.6740 4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 4.7770 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 5.6100 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 4.7020 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 3.9930 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 3.2390 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 4.1590 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 4.0390 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 4.7530 -0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 3.2220 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.8660 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 1.0930 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.6600 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 3.0280 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 3.8130 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 5.1550 -0.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 5.9780 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 7.4500 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 7.6400 -0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 3.6320 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 4.8140 -0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 2.7980 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 3.3620 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 2.5760 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 1.2310 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 0.6540 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 1.4310 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 0.8250 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.3560 0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 6.4680 4.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 5.0800 5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 6.1130 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 3.9830 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 6.0690 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 6.3890 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 3.9800 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 5.3060 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 2.8770 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 2.3940 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 3.5840 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 4.9510 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 1.4160 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 0.0430 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 5.4250 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 5.6690 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 5.8490 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 8.0680 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 7.7340 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 8.5520 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 4.4110 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 3.0150 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 0.6280 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -0.3960 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 M END