NCI:696236 BBtclserve11129920282D 0 0.00000 0.00000247100 999-99-9 70 75 0 0 0 0 0 0 0 0 1 V2000 15.7381 1.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5471 2.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4607 1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5652 0.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7562 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8426 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2697 2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8246 1.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3794 1.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 0.8752 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.1652 3.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9742 3.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8696 4.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8877 3.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4787 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2878 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2013 0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1832 1.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8607 -0.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7743 -1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8788 -2.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5833 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0336 -0.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 -1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3291 -1.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0517 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7614 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1582 0.0662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9826 1.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 -0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3393 -1.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3338 -1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3283 -1.4473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 -1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8479 0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 1.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 -2.1537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3666 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 -3.7718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8277 -3.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8277 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4479 2.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4260 1.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1389 3.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 3.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 4.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 4.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 4.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 3.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 -3.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -3.4627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 -1.9627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 -4.9627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0155 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1020 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.3384 0.0000 C 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 1 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 3 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 35 39 1 0 0 0 0 28 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 43 47 1 0 0 0 0 41 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 50 55 2 0 0 0 0 46 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 47 59 1 0 0 0 0 56 60 1 0 0 0 0 8 61 1 0 0 0 0 9 62 1 0 0 0 0 42 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 65 70 2 0 0 0 0 5 6 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 46 47 2 0 0 0 0 54 55 1 0 0 0 0 58 59 2 0 0 0 0 61 62 1 0 0 0 0 69 70 1 0 0 0 0 M END