REMARK Name = BDB021636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.420 -1.720 0.893 0.00 0.00 +0.057 C ATOM 2 C LIG 1 0.104 -2.557 -0.288 0.00 0.00 +0.122 C ATOM 3 O LIG 1 1.274 -2.027 -0.916 0.00 0.00 -0.468 OA ATOM 4 C LIG 1 1.244 -0.699 -1.192 0.00 0.00 +0.231 A ATOM 5 C LIG 1 0.297 -0.079 -1.989 0.00 0.00 +0.099 A ATOM 6 C LIG 1 0.471 1.293 -2.235 0.00 0.00 +0.023 A ATOM 7 C LIG 1 1.552 1.976 -1.685 0.00 0.00 +0.068 A ATOM 8 C LIG 1 2.439 1.261 -0.905 0.00 0.00 +0.218 A ATOM 9 C LIG 1 -0.878 -0.715 -2.625 0.00 0.00 +0.252 C ATOM 10 O LIG 1 -1.232 -0.268 -3.717 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.631 -1.672 -1.928 0.00 0.00 -0.291 N ATOM 12 N LIG 1 2.310 -0.055 -0.654 0.00 0.00 -0.177 NA ATOM 13 C LIG 1 -0.961 -2.840 -1.358 0.00 0.00 +0.155 C ATOM 14 C LIG 1 0.569 -3.912 0.283 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 O LIG 1 3.501 1.969 -0.383 0.00 0.00 -0.473 OA BRANCH 15 16 ATOM 16 C LIG 1 4.406 1.204 0.425 0.00 0.00 +0.178 C ATOM 17 C LIG 1 5.441 0.491 -0.449 0.00 0.00 +0.060 C ATOM 18 C LIG 1 6.527 -0.151 0.411 0.00 0.00 +0.088 C ATOM 19 N LIG 1 7.205 0.791 1.319 0.00 0.00 -0.300 NA ATOM 20 C LIG 1 6.218 1.496 2.154 0.00 0.00 +0.088 C ATOM 21 C LIG 1 5.113 2.189 1.360 0.00 0.00 +0.060 C BRANCH 19 22 ATOM 22 C LIG 1 8.111 1.699 0.578 0.00 0.00 +0.112 C BRANCH 22 23 ATOM 23 C LIG 1 9.104 2.409 1.513 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 O LIG 1 9.724 1.456 2.374 0.00 0.00 -0.394 OA ATOM 25 H LIG 1 9.037 0.775 2.525 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 26 ATOM 26 C LIG 1 -2.981 -1.899 -2.473 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -4.071 -2.285 -1.450 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -5.329 -2.503 -2.107 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -5.170 -3.079 -2.875 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.245 -1.264 -0.297 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -4.338 0.160 -0.679 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -4.289 1.040 0.505 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -5.576 1.120 1.298 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -6.813 0.812 0.700 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -7.994 0.928 1.446 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -7.952 1.368 2.768 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.732 1.692 3.357 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.864 0.298 -0.718 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -5.550 1.572 2.625 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -5.537 0.495 -1.467 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 10