NCI:621797 BBtclserve11129919392D 0 0.00000 0.00000212002 999-99-9 63 70 0 0 0 0 0 0 0 0 3 V2000 9.3560 -0.6763 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0 10.1650 -0.0885 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 8.7939 -1.5034 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 9.4070 -2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8201 -3.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7911 -3.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4832 -4.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2043 -5.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2332 -5.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5411 -4.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4438 1.6715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0370 2.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0425 2.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6358 3.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2235 4.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 4.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6248 3.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -3.2539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1058 -1.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 -1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 -1.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1635 -2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8557 -3.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8268 -2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3163 -0.9553 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.4115 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3477 -1.9548 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.1924 -2.5906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 -3.5509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 -3.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 -4.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -4.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -3.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 -3.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9438 -1.4853 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.9383 -1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3450 -0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3395 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9273 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5206 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5261 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 -0.0885 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8560 0.8625 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 9.8560 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5959 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9219 -1.0672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5096 -1.8762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5042 -1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0920 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0865 -2.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4932 -1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9054 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9109 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2825 -3.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0006 -3.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 -3.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0771 -1.6366 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.5699 -5.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2909 -6.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8168 5.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 6.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2401 -4.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 2 0 0 0 0 4 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 19 24 2 0 0 0 0 1 25 1 0 0 0 0 20 26 1 0 0 0 0 4 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 30 35 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 37 42 1 0 0 0 0 1 43 1 0 0 0 0 43 44 1 0 0 0 0 2 45 2 0 0 0 0 38 46 1 0 0 0 0 40 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 49 54 2 0 0 0 0 42 55 1 0 0 0 0 55 56 1 0 0 0 0 24 57 1 0 0 0 0 10 59 1 0 0 0 0 59 60 1 0 0 0 0 15 61 1 0 0 0 0 61 62 1 0 0 0 0 57 63 1 0 0 0 0 9 10 1 0 0 0 0 16 17 1 0 0 0 0 5 18 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 34 35 1 0 0 0 0 41 42 2 0 0 0 0 11 45 1 0 0 0 0 44 45 1 0 0 0 0 43 46 2 0 0 0 0 53 54 1 0 0 0 0 19 58 1 0 0 0 0 M CHG 8 1 2 2 1 3 1 25 1 27 -1 36 1 43 1 44 -1 M CHG 1 58 1 M END