REMARK Name = BDB012732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.834 -1.968 -0.505 0.00 0.00 +0.139 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.464 -4.194 -1.613 0.00 0.00 +0.006 C ATOM 3 C LIG 1 -1.211 -2.707 -1.799 0.00 0.00 +0.030 C ENDBRANCH 1 3 BRANCH 1 4 ATOM 4 O LIG 1 -0.482 -0.631 -0.901 0.00 0.00 -0.363 OA BRANCH 4 5 ATOM 5 C LIG 1 0.361 0.056 0.036 0.00 0.00 +0.287 C BRANCH 5 6 ATOM 6 P LIG 1 2.068 -0.319 -0.399 0.00 0.00 +0.364 P ATOM 7 O LIG 1 2.584 -1.631 0.109 0.00 0.00 -0.256 OA BRANCH 6 8 ATOM 8 O LIG 1 2.070 -0.180 -2.001 0.00 0.00 -0.322 OA ATOM 9 H LIG 1 1.166 -0.190 -2.385 0.00 0.00 +0.220 HD ENDBRANCH 6 8 BRANCH 6 10 ATOM 10 O LIG 1 2.876 0.960 0.103 0.00 0.00 -0.206 OA BRANCH 10 11 ATOM 11 P LIG 1 4.438 0.879 0.413 0.00 0.00 +0.490 P ATOM 12 O LIG 1 5.338 0.597 -0.745 0.00 0.00 -0.227 OA BRANCH 11 13 ATOM 13 O LIG 1 4.501 -0.201 1.591 0.00 0.00 -0.302 OA ATOM 14 H LIG 1 4.345 -1.112 1.255 0.00 0.00 +0.222 HD ENDBRANCH 11 13 BRANCH 11 15 ATOM 15 O LIG 1 4.740 2.258 1.146 0.00 0.00 -0.186 OA BRANCH 15 16 ATOM 16 P LIG 1 6.234 2.789 1.222 0.00 0.00 +0.481 P ATOM 17 O LIG 1 7.238 1.953 1.932 0.00 0.00 -0.227 OA BRANCH 16 18 ATOM 18 O LIG 1 6.612 3.135 -0.291 0.00 0.00 -0.302 OA ATOM 19 H LIG 1 6.767 2.320 -0.817 0.00 0.00 +0.222 HD ENDBRANCH 16 18 BRANCH 16 20 ATOM 20 O LIG 1 6.081 4.254 1.844 0.00 0.00 -0.302 OA ATOM 21 H LIG 1 6.957 4.632 2.044 0.00 0.00 +0.222 HD ENDBRANCH 16 20 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -1.933 -1.987 0.579 0.00 0.00 +0.156 C BRANCH 22 23 ATOM 23 N LIG 1 -3.130 -1.246 0.244 0.00 0.00 -0.312 N ATOM 24 C LIG 1 -3.405 0.052 0.575 0.00 0.00 +0.169 A ATOM 25 C LIG 1 -4.674 0.277 0.088 0.00 0.00 +0.172 A ATOM 26 C LIG 1 -5.254 1.585 0.294 0.00 0.00 +0.280 A ATOM 27 N LIG 1 -4.392 2.439 0.968 0.00 0.00 -0.293 N ATOM 28 H LIG 1 -4.773 3.346 1.179 0.00 0.00 +0.172 HD ATOM 29 C LIG 1 -3.137 2.089 1.423 0.00 0.00 +0.195 A ATOM 30 O LIG 1 -6.373 1.941 -0.061 0.00 0.00 -0.265 OA ATOM 31 N LIG 1 -5.191 -0.843 -0.512 0.00 0.00 -0.229 NA ATOM 32 N LIG 1 -2.599 0.911 1.247 0.00 0.00 -0.196 NA ATOM 33 C LIG 1 -4.241 -1.747 -0.385 0.00 0.00 +0.201 A BRANCH 29 34 ATOM 34 N LIG 1 -2.453 3.057 2.083 0.00 0.00 -0.329 N ATOM 35 H LIG 1 -2.594 4.010 1.775 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -1.474 2.827 2.217 0.00 0.00 +0.145 HD ENDBRANCH 29 34 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 15