NCI:613663 BBtclserve11129919362D 0 0.00000 0.00000208356 999-99-9 33 36 0 0 0 0 0 0 0 0 3 V2000 9.4751 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -1.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0305 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5906 0.1821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5929 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0352 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -0.5119 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.0784 1.4458 0.0000 Mn 0 2 0 0 0 0 0 0 0 0 0 0 9.6557 1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 -1.2725 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.4956 0.8261 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 8.3547 1.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0699 1.2703 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3696 1.9880 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.8025 -0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -1.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -0.9178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -0.0966 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8848 -1.0477 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.8848 -1.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5758 -0.0966 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 9.0728 2.5120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 -1.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -1.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9127 -2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9104 -2.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8228 0.0000 O 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 1 0 0 0 0 1 7 2 0 0 0 0 7 8 1 0 0 0 0 5 10 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 6 14 2 0 0 0 0 13 15 1 0 0 0 0 11 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 21 22 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 9 26 1 0 0 0 0 13 27 1 0 0 0 0 25 28 1 0 0 0 0 17 29 1 0 0 0 0 2 30 1 0 0 0 0 30 31 1 0 0 0 0 20 32 1 0 0 0 0 32 33 1 0 0 0 0 5 7 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 25 26 2 0 0 0 0 M CHG 8 8 1 9 2 11 1 12 1 14 1 15 -1 23 1 24 -1 M CHG 1 26 1 M END