REMARK Name = BDB012733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.471 -1.962 0.175 0.00 0.00 +0.038 C ATOM 2 C LIG 1 -0.365 -0.834 1.197 0.00 0.00 +0.118 C ENDROOT BRANCH 2 3 ATOM 3 O LIG 1 0.723 0.047 0.890 0.00 0.00 -0.365 OA BRANCH 3 4 ATOM 4 C LIG 1 2.020 -0.526 1.135 0.00 0.00 +0.287 C BRANCH 4 5 ATOM 5 P LIG 1 2.859 -0.666 -0.455 0.00 0.00 +0.364 P ATOM 6 O LIG 1 2.516 -1.879 -1.264 0.00 0.00 -0.256 OA BRANCH 5 7 ATOM 7 O LIG 1 2.503 0.732 -1.168 0.00 0.00 -0.322 OA ATOM 8 H LIG 1 1.746 1.188 -0.747 0.00 0.00 +0.220 HD ENDBRANCH 5 7 BRANCH 5 9 ATOM 9 O LIG 1 4.398 -0.527 -0.073 0.00 0.00 -0.206 OA BRANCH 9 10 ATOM 10 P LIG 1 5.553 -1.063 -1.030 0.00 0.00 +0.490 P ATOM 11 O LIG 1 5.647 -0.450 -2.383 0.00 0.00 -0.227 OA BRANCH 10 12 ATOM 12 O LIG 1 5.230 -2.636 -1.083 0.00 0.00 -0.302 OA ATOM 13 H LIG 1 4.446 -2.807 -1.652 0.00 0.00 +0.222 HD ENDBRANCH 10 12 BRANCH 10 14 ATOM 14 O LIG 1 6.865 -1.021 -0.136 0.00 0.00 -0.186 OA BRANCH 14 15 ATOM 15 P LIG 1 7.647 0.307 0.207 0.00 0.00 +0.481 P ATOM 16 O LIG 1 8.286 1.071 -0.896 0.00 0.00 -0.227 OA BRANCH 15 17 ATOM 17 O LIG 1 8.716 -0.171 1.297 0.00 0.00 -0.302 OA ATOM 18 H LIG 1 9.522 -0.514 0.867 0.00 0.00 +0.222 HD ENDBRANCH 15 17 BRANCH 15 19 ATOM 19 O LIG 1 6.665 1.175 1.118 0.00 0.00 -0.302 OA ATOM 20 H LIG 1 7.070 2.036 1.330 0.00 0.00 +0.222 HD ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 5 9 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 BRANCH 2 21 ATOM 21 C LIG 1 -1.646 0.006 1.265 0.00 0.00 +0.053 C BRANCH 21 22 ATOM 22 C LIG 1 -1.977 0.736 -0.038 0.00 0.00 +0.127 C BRANCH 22 23 ATOM 23 N LIG 1 -3.172 1.544 0.089 0.00 0.00 -0.315 N ATOM 24 C LIG 1 -4.460 1.121 -0.063 0.00 0.00 +0.169 A ATOM 25 C LIG 1 -5.227 2.247 0.136 0.00 0.00 +0.172 A ATOM 26 C LIG 1 -6.663 2.111 0.026 0.00 0.00 +0.280 A ATOM 27 N LIG 1 -7.045 0.806 -0.259 0.00 0.00 -0.293 N ATOM 28 H LIG 1 -8.032 0.671 -0.395 0.00 0.00 +0.172 HD ATOM 29 C LIG 1 -6.169 -0.245 -0.443 0.00 0.00 +0.195 A ATOM 30 O LIG 1 -7.484 3.012 0.158 0.00 0.00 -0.265 OA ATOM 31 N LIG 1 -4.450 3.343 0.413 0.00 0.00 -0.229 NA ATOM 32 N LIG 1 -4.870 -0.138 -0.350 0.00 0.00 -0.196 NA ATOM 33 C LIG 1 -3.214 2.886 0.373 0.00 0.00 +0.201 A BRANCH 29 34 ATOM 34 N LIG 1 -6.730 -1.447 -0.728 0.00 0.00 -0.329 N ATOM 35 H LIG 1 -6.061 -2.207 -0.649 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -7.609 -1.655 -0.273 0.00 0.00 +0.145 HD ENDBRANCH 29 34 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 15