NCI:309949 BBtclserve11129918562D 0 0.00000 0.00000170532 69666-94-0 28 27 0 0 0 0 0 0 0 0 2 V2000 3.7321 0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2575 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2321 -0.1085 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2321 1.6236 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5823 1.0805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7425 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -0.1085 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2321 1.6236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.4896 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9210 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 1.8443 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9052 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2119 1.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 2.7851 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2439 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 -1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2123 -1.3326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4052 -0.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 -2.1397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5511 -2.2734 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8578 -0.5688 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 0.1675 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6414 0.4742 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 -2.4784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8148 -2.7851 0.0000 F 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 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 M CHG 8 3 1 4 1 5 1 8 -1 10 -1 12 -1 14 1 17 -1 M END