NCI:694326 BBtclserve11129920272D 0 0.00000 0.00000246398 999-99-9 78 84 0 0 0 0 0 0 0 0 1 V2000 14.6495 1.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7835 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7835 0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6495 -0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5156 0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5156 1.3653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0514 0.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9688 -2.8371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9469 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0514 -1.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1379 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4688 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -1.9129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3919 -1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 -2.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2228 -3.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3093 -2.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -5.2438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 -4.5007 0.0000 C 0 0 0 0 0 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0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 -7.8324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -2.6756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7835 3.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0156 5.9041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7066 4.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5156 4.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3246 4.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0156 5.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6857 8.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8767 8.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1857 7.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1857 7.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4947 8.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7580 8.3176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9490 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1399 8.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4490 9.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4490 9.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4278 6.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6857 9.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7090 8.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4457 8.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6537 9.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6034 6.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1966 7.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6495 2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6300 10.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6191 10.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6136 10.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2014 11.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5156 3.3653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0368 10.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1889 8.0086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0313 9.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5979 6.6086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1959 11.3821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7837 12.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6026 10.4685 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 13 14 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