NCI:160801 BBtclserve11129917572D 0 0.00000 0.00000118786 55520-49-5 44 49 0 0 0 0 0 0 0 0 1 V2000 8.4250 0.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2171 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2661 2.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9603 2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 -0.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9113 2.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6525 -1.2171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6545 2.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4955 4.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5185 -0.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6525 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3025 1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4466 3.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5185 0.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 -1.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 -2.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5185 -2.7171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7147 0.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 2.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3845 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -0.9081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 3.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 2.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -1.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -2.5261 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 4.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -0.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -2.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 4.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -2.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.2440 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 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 2 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 35 39 2 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 2 0 0 0 0 10 13 1 0 0 0 0 15 20 1 0 0 0 0 24 28 1 0 0 0 0 33 34 1 0 0 0 0 36 39 1 0 0 0 0 43 44 1 0 0 0 0 M END