BD4NB2 -OEChem-04042102373D 40 42 0 0 0 0 0 0 0999 V2000 -4.7985 -1.9116 0.1979 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0448 -2.0088 -0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -2.9231 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -2.4457 -1.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5331 0.3755 -0.0523 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.5487 -0.2106 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4201 1.4569 0.4039 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8852 -0.3781 0.0449 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 1.2651 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 1.0762 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 -0.3499 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 0.2208 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 1.5886 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -0.1718 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 2.5434 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 2.6943 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 2.1461 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8777 0.7200 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 0.1512 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 1.9679 -0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2311 -1.8737 1.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0568 0.5318 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -1.7534 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4557 -2.3732 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.7688 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 -1.0084 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7255 3.3915 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 3.6472 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 3.1266 -0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9505 0.6051 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9253 2.8000 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6864 -2.8326 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -1.7226 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9447 -1.0652 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 0.7126 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9003 1.4746 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 0.0873 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 -3.4497 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2586 -2.2041 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7304 -1.9514 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 19 2 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$