REMARK Name = BDB012731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.215 0.367 -0.381 0.00 0.00 -0.368 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.566 -0.957 0.019 0.00 0.00 +0.162 C BRANCH 2 3 ATOM 3 C LIG 1 -1.064 -1.763 -1.179 0.00 0.00 +0.050 C BRANCH 3 4 ATOM 4 C LIG 1 -2.338 -1.192 -1.808 0.00 0.00 +0.127 C BRANCH 4 13 ATOM 5 C LIG 1 -4.564 1.280 0.965 0.00 0.00 +0.195 A ATOM 6 N LIG 1 -5.668 0.683 1.538 0.00 0.00 -0.293 N ATOM 7 H LIG 1 -6.260 1.210 2.157 0.00 0.00 +0.172 HD ATOM 8 C LIG 1 -6.106 -0.603 1.249 0.00 0.00 +0.280 A ATOM 9 O LIG 1 -7.119 -1.072 1.758 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 -5.241 -1.276 0.304 0.00 0.00 +0.172 A ATOM 11 N LIG 1 -5.297 -2.544 -0.217 0.00 0.00 -0.229 NA ATOM 12 C LIG 1 -4.254 -2.611 -1.020 0.00 0.00 +0.201 A ATOM 13 N LIG 1 -3.529 -1.445 -1.025 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -4.163 -0.575 -0.187 0.00 0.00 +0.169 A ATOM 15 N LIG 1 -3.787 0.693 0.097 0.00 0.00 -0.196 NA BRANCH 5 16 ATOM 16 N LIG 1 -4.293 2.551 1.358 0.00 0.00 -0.329 N ATOM 17 H LIG 1 -4.439 2.748 2.339 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -3.364 2.832 1.052 0.00 0.00 +0.145 HD ENDBRANCH 5 16 ENDBRANCH 4 13 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.169 0.518 -0.723 0.00 0.00 +0.286 C BRANCH 19 20 ATOM 20 P LIG 1 2.154 0.772 0.754 0.00 0.00 +0.364 P ATOM 21 O LIG 1 2.167 -0.315 1.782 0.00 0.00 -0.256 OA BRANCH 20 22 ATOM 22 O LIG 1 1.643 2.157 1.403 0.00 0.00 -0.322 OA ATOM 23 H LIG 1 2.039 2.297 2.285 0.00 0.00 +0.220 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 O LIG 1 3.607 1.198 0.250 0.00 0.00 -0.206 OA BRANCH 24 25 ATOM 25 P LIG 1 4.477 0.357 -0.775 0.00 0.00 +0.490 P ATOM 26 O LIG 1 4.327 -1.124 -0.754 0.00 0.00 -0.227 OA BRANCH 25 27 ATOM 27 O LIG 1 3.989 0.943 -2.189 0.00 0.00 -0.302 OA ATOM 28 H LIG 1 4.308 0.393 -2.929 0.00 0.00 +0.222 HD ENDBRANCH 25 27 BRANCH 25 29 ATOM 29 O LIG 1 5.955 0.927 -0.682 0.00 0.00 -0.186 OA BRANCH 29 30 ATOM 30 P LIG 1 6.811 0.868 0.646 0.00 0.00 +0.481 P ATOM 31 O LIG 1 6.244 1.515 1.861 0.00 0.00 -0.227 OA BRANCH 30 32 ATOM 32 O LIG 1 8.193 1.572 0.250 0.00 0.00 -0.302 OA ATOM 33 H LIG 1 8.441 2.208 0.950 0.00 0.00 +0.222 HD ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 O LIG 1 7.316 -0.629 0.823 0.00 0.00 -0.302 OA ATOM 35 H LIG 1 7.975 -0.883 0.153 0.00 0.00 +0.222 HD ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 15