REMARK Name = BDB031005 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.446 0.150 1.250 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -2.026 -0.981 1.663 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 -1.252 -2.049 1.884 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.131 -2.037 1.696 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.880 -3.224 1.924 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.254 -4.393 2.349 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.120 -4.393 2.547 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.631 -0.800 1.268 0.00 0.00 +0.086 A ATOM 9 C LIG 1 -1.854 -3.227 2.311 0.00 0.00 +0.028 A ATOM 10 N LIG 1 -0.141 0.280 1.025 0.00 0.00 -0.214 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.047 -0.565 1.022 0.00 0.00 +0.026 A ATOM 12 C LIG 1 2.694 -0.144 -0.182 0.00 0.00 +0.010 A ATOM 13 C LIG 1 4.054 -0.019 0.096 0.00 0.00 +0.059 A ATOM 14 C LIG 1 5.018 0.374 -0.858 0.00 0.00 +0.053 A ATOM 15 C LIG 1 4.534 0.648 -2.152 0.00 0.00 +0.064 A ATOM 16 C LIG 1 3.171 0.532 -2.456 0.00 0.00 +0.020 A ATOM 17 N LIG 1 4.220 -0.333 1.432 0.00 0.00 -0.359 N ATOM 18 H LIG 1 5.122 -0.306 1.904 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 2.245 0.139 -1.485 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.017 -0.645 2.002 0.00 0.00 +0.093 A BRANCH 14 21 ATOM 21 P LIG 1 6.697 0.483 -0.325 0.00 0.00 +0.114 P ATOM 22 O LIG 1 6.902 0.111 1.129 0.00 0.00 -0.317 OA ATOM 23 C LIG 1 7.339 2.139 -0.591 0.00 0.00 +0.086 C ATOM 24 C LIG 1 7.754 -0.560 -1.335 0.00 0.00 +0.086 C ENDBRANCH 14 21 BRANCH 15 25 ATOM 25 C LIG 1 5.420 1.059 -3.201 0.00 0.00 +0.100 C ATOM 26 N LIG 1 6.157 1.389 -4.033 0.00 0.00 -0.191 NA ENDBRANCH 15 25 ENDBRANCH 8 11 BRANCH 1 27 ATOM 27 N LIG 1 -2.208 1.278 1.001 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -1.635 1.904 0.445 0.00 0.00 +0.149 HD BRANCH 27 34 ATOM 29 C LIG 1 -6.532 -0.136 -0.524 0.00 0.00 +0.027 C ATOM 30 C LIG 1 -5.912 1.136 -1.136 0.00 0.00 +0.014 C ATOM 31 N LIG 1 -4.641 0.836 -1.806 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -4.773 0.140 -2.539 0.00 0.00 +0.123 HD ATOM 33 C LIG 1 -3.568 0.397 -0.903 0.00 0.00 +0.103 C ATOM 34 C LIG 1 -3.562 1.053 0.504 0.00 0.00 +0.087 C ATOM 35 C LIG 1 -4.288 2.398 0.447 0.00 0.00 +0.025 C ATOM 36 C LIG 1 -5.724 2.246 -0.068 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -6.881 1.647 -2.220 0.00 0.00 +0.027 C ENDBRANCH 27 34 ENDBRANCH 1 27 TORSDOF 5