IBS-ZINC04816272 MOE2007 3D Structure written by MMmdl. 45 48 0 0 0 0 0 0 0 0999 V2000 0.3870 9.7790 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 10.3170 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 9.7790 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 10.0830 0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 11.0810 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 12.4730 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 13.1620 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 12.4840 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 11.0840 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 10.4160 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 8.8960 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 7.7220 0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 6.5970 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 5.3450 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 3.8400 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 3.2130 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 1.8110 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 1.0950 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 1.7470 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 3.1410 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 4.1070 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 3.8270 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 8.6860 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 10.0880 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 10.1600 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 11.4020 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 10.1620 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 10.0880 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 8.6870 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 12.9990 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 14.2520 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 13.0660 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 10.5550 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 6.5390 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 3.7740 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 1.2580 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.0050 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.1940 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 4.2730 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 2.7540 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 4.2670 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 9.0670 0.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3960 8.3540 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 5.1700 0.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3130 5.9430 0.0540 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 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 42 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 21 1 0 0 0 0 14 44 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 42 1 M CHG 1 44 1 M END