NCI:678317 BBtclserve11129920182D 0 0.00000 0.00000239572 999-99-9 46 48 0 0 0 0 0 0 0 0 3 V2000 3.7321 -4.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 4.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 4.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 3.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 3.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 3.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 4.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -0.4437 0.0000 S 0 6 0 0 0 0 0 0 0 0 0 0 4.6456 -0.8001 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.4546 -1.3879 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -0.2123 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 7.2394 1.1596 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.9821 1.4225 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4604 0.1155 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2068 0.0000 Mo 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7068 0.0000 N 0 6 0 0 0 0 0 0 0 0 0 0 6.5649 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 1.7030 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.3036 2.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 4.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 2.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 3.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5757 3.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -3.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -3.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 -1.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 -2.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9681 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4784 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 1.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0809 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 0.7810 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 5.5468 0.5222 0.0000 Mo 0 5 0 0 0 0 0 0 0 0 0 0 7.7916 0.1167 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.7715 2.0433 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 2.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 9 18 1 0 0 0 0 13 20 1 0 0 0 0 3 21 1 0 0 0 0 19 22 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 15 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 22 36 1 0 0 0 0 37 38 2 0 0 0 0 6 39 1 0 0 0 0 12 40 1 0 0 0 0 20 41 1 0 0 0 0 13 42 1 0 0 0 0 17 44 2 0 0 0 0 38 45 1 0 0 0 0 38 46 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 16 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 37 41 1 0 0 0 0 17 42 1 0 0 0 0 18 42 1 0 0 0 0 19 42 1 0 0 0 0 41 42 1 0 0 0 0 24 44 1 0 0 0 0 27 44 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 8 13 -2 14 1 16 1 17 1 18 1 19 1 20 5 21 -2 M CHG 4 23 1 41 -1 42 -1 43 1 M END