NCI:687806 BBtclserve11129920232D 0 0.00000 0.00000243766 999-99-9 36 40 0 0 0 0 0 0 0 0 2 V2000 3.7321 1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 1.7456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6564 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9384 -1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1819 -2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 -2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8618 -2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6181 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3872 -3.7431 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4951 0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4896 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3141 2.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 2.8295 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1330 3.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 2.7250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8909 1.4205 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.4787 0.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2976 2.3341 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3363 -0.4115 0.0000 Cl 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 1 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 2 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 2 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 16 21 2 0 0 0 0 19 22 1 0 0 0 0 6 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 24 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 21 36 1 0 0 0 0 5 6 1 0 0 0 0 9 10 2 0 0 0 0 14 15 1 0 0 0 0 20 21 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 4 30 1 32 -1 33 1 35 -1 M END