NCI:657667 BBtclserve11129920072D 0 0.00000 0.00000229574 999-99-9 72 76 0 0 0 0 0 0 0 0 2 V2000 8.8573 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9913 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9913 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8573 -1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -2.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8573 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5506 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5348 1.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 1.8977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 2.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2281 3.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5668 3.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9214 4.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9372 4.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5984 3.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2277 0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5822 0.7797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0522 -1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -2.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8803 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 -2.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 5.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6463 6.0708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 4.6616 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0555 5.9525 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2749 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9527 1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 0.0721 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3064 -0.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8359 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2916 2.3075 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6462 3.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2758 2.4844 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8573 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9913 -5.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -5.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9913 -6.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5894 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 -4.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1874 -3.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0535 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0535 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9195 -5.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7855 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7855 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9195 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4554 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4554 -2.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 -1.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6515 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5176 -2.5708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.1515 -2.2048 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 17.1515 -3.9369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1874 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1875 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4554 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4554 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3214 2.4292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.1875 2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4554 2.9292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5894 -0.5708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5894 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -0.0708 0.0000 O 0 5 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 4 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 11 16 2 0 0 0 0 7 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 19 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 1 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 48 53 2 0 0 0 0 44 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 52 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 56 66 1 0 0 0 0 63 67 1 0 0 0 0 67 68 2 0 0 0 0 67 69 1 0 0 0 0 65 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 5 6 1 0 0 0 0 15 16 1 0 0 0 0 8 17 1 0 0 0 0 32 33 2 0 0 0 0 28 33 1 0 0 0 0 52 53 1 0 0 0 0 45 54 1 0 0 0 0 65 66 2 0 0 0 0 61 66 1 0 0 0 0 M CHG 8 34 1 36 -1 37 1 39 -1 67 1 69 -1 70 1 72 -1 M END