NCI:676586 BBtclserve11129920162D 0 0.00000 0.00000238453 999-99-9 43 46 0 0 0 0 0 0 0 0 2 V2000 5.2704 1.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 1.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -2.3077 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1369 -1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -0.6897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -3.2588 0.0000 B 0 1 0 0 0 0 0 0 0 0 0 0 6.8363 -3.4667 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 7.6182 2.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 2.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 3.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 1.7514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 1.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2543 1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 2.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 1.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3758 0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3703 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7770 1.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7067 -0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7552 1.5646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4243 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7115 1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0423 2.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0642 2.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6896 2.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1153 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3514 3.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4025 1.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 2.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -3.6746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6896 0.0000 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 4 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 3 16 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 3 24 1 0 0 0 0 22 25 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 32 36 1 0 0 0 0 34 37 2 0 0 0 0 33 38 2 0 0 0 0 35 39 1 0 0 0 0 33 40 1 0 0 0 0 21 41 1 0 0 0 0 15 42 3 0 0 0 0 11 12 1 0 0 0 0 6 12 1 0 0 0 0 9 17 1 0 0 0 0 4 24 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 35 36 2 0 0 0 0 34 40 1 0 0 0 0 M CHG 3 10 1 14 3 15 -1 M END