NCI:683472 BBtclserve11129920212D 0 0.00000 0.00000241720 999-99-9 72 73 0 0 0 0 0 0 0 0 1 V2000 15.3565 5.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4054 4.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6623 5.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5644 6.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8213 6.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5155 6.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7234 7.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0385 2.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7817 1.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8796 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 1.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4148 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1579 -1.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4637 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6227 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7695 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 -1.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3048 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4912 1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 2.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 1.6255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0264 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2343 1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 4.4066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0875 2.1924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 3.7886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7085 -2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -3.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0969 -3.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -4.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7206 -0.0729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 -1.6690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 -3.9344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -4.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -5.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -5.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2465 3.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7112 5.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5033 4.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9681 5.7960 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1760 6.7742 0.0000 C 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 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 10 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 17 23 1 0 0 0 0 20 24 1 0 0 0 0 1 25 1 0 0 0 0 8 26 1 0 0 0 0 2 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 11 34 1 0 0 0 0 18 35 1 0 0 0 0 29 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 36 40 1 0 0 0 0 40 41 1 0 0 0 0 37 42 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 47 52 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 38 62 1 0 0 0 0 44 63 1 0 0 0 0 54 64 1 0 0 0 0 58 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 8 68 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 13 16 1 0 0 0 0 23 24 1 0 0 0 0 10 26 1 0 0 0 0 17 34 1 0 0 0 0 28 35 1 0 0 0 0 41 42 1 0 0 0 0 51 52 1 0 0 0 0 43 62 1 0 0 0 0 53 63 1 0 0 0 0 58 64 1 0 0 0 0 27 68 1 0 0 0 0 69 70 1 0 0 0 0 M END