IBS-ZINC00498804 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 -1.5960 2.5620 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 2.1970 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 1.3790 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0240 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.9680 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.3140 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.6860 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -1.7290 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -0.4020 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.8460 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 3.1780 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 3.5040 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 4.8140 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 7.0210 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 8.3660 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 9.2750 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 8.8440 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 7.4830 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 6.5850 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 5.1910 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 4.2730 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 3.1250 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 3.1740 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 1.6630 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 3.0970 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 1.6470 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -0.6820 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -3.0940 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -3.7460 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -2.0030 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 3.9310 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 8.6890 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 10.3450 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 9.5910 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 7.1520 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 3.6720 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 4.8140 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 3.6210 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 0.7680 -0.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0970 0.8340 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 5.8810 0.0250 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5530 5.9070 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 39 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 13 41 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M END