NCI:639097 BBtclserve11129919572D 0 0.00000 0.00000221351 999-99-9 72 80 0 0 0 0 0 0 0 0 3 V2000 11.5266 4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0266 4.9332 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5266 5.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 5.7992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8356 3.1161 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.2176 3.1161 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2176 3.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 4.0672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 4.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 3.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 4.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 5.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6485 5.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 4.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 4.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.4273 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 3.4762 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.7431 4.1183 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3852 5.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 6.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2363 6.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 2.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9141 2.7035 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3012 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 0.9873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6698 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2827 1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 3.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2236 1.3030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1922 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2319 0.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8932 -0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4553 -1.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 -2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1215 -3.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4293 -4.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -5.1760 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.9872 -6.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6685 -4.8970 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7480 -5.4550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0744 -2.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -0.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0266 0.1235 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5266 -0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5266 -0.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3356 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5266 0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2176 1.9406 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.8356 1.9406 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.8356 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1446 0.9895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0957 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4047 -0.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4047 -0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7137 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9047 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9925 -1.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9870 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5748 -1.7840 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.1626 -2.5931 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 16.7658 -2.3718 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.3838 -1.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6648 0.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9047 2.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0266 2.5284 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 11.3056 1.5681 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 4.7874 0.0000 Na 0 3 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 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 47 52 1 0 0 0 0 47 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 2 0 0 0 0 51 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 57 61 1 0 0 0 0 59 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 64 67 1 0 0 0 0 60 68 1 0 0 0 0 61 69 1 0 0 0 0 7 70 1 0 0 0 0 5 6 2 0 0 0 0 9 10 1 0 0 0 0 14 15 1 0 0 0 0 28 29 2 0 0 0 0 32 33 1 0 0 0 0 37 38 1 0 0 0 0 51 52 2 0 0 0 0 55 56 1 0 0 0 0 60 61 1 0 0 0 0 8 70 1 0 0 0 0 31 70 1 0 0 0 0 53 70 1 0 0 0 0 54 70 1 0 0 0 0 M CHG 8 2 1 7 1 8 1 19 1 20 -1 25 1 31 1 43 -1 M CHG 8 44 -1 48 1 53 1 54 1 65 1 66 -1 71 -1 72 1 M END