REMARK Name = BDB058650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.203 -0.983 -0.562 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -0.008 0.231 0.150 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.279 0.588 0.598 0.00 0.00 +0.055 A ATOM 4 C LIG 1 2.355 -0.267 0.327 0.00 0.00 +0.093 A ATOM 5 C LIG 1 2.129 -1.441 -0.373 0.00 0.00 +0.069 A ATOM 6 N LIG 1 3.368 -2.022 -0.454 0.00 0.00 -0.326 N ATOM 7 H LIG 1 3.571 -2.908 -0.885 0.00 0.00 +0.169 HD ATOM 8 C LIG 1 4.282 -1.204 0.165 0.00 0.00 +0.197 A ATOM 9 N LIG 1 3.682 -0.141 0.653 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 0.872 -1.840 -0.835 0.00 0.00 +0.053 A ENDROOT BRANCH 2 11 ATOM 11 N LIG 1 -1.134 1.070 0.381 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -1.469 1.220 1.808 0.00 0.00 +0.105 C ATOM 13 C LIG 1 -1.393 2.678 2.259 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -2.271 3.602 1.396 0.00 0.00 +0.017 C ATOM 15 C LIG 1 -2.269 3.176 -0.087 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -1.066 2.301 -0.422 0.00 0.00 +0.105 C BRANCH 14 17 ATOM 17 C LIG 1 -3.700 3.681 1.948 0.00 0.00 +0.159 C BRANCH 17 18 ATOM 18 O LIG 1 -4.464 4.667 1.266 0.00 0.00 -0.395 OA ATOM 19 H LIG 1 -4.460 4.458 0.317 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 2 11 BRANCH 8 20 ATOM 20 N LIG 1 5.598 -1.526 0.244 0.00 0.00 -0.297 N ATOM 21 C LIG 1 6.524 -0.524 0.806 0.00 0.00 +0.136 C ATOM 22 C LIG 1 7.694 -0.289 -0.162 0.00 0.00 +0.179 C ATOM 23 O LIG 1 8.460 -1.471 -0.451 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 7.709 -2.684 -0.297 0.00 0.00 +0.179 C ATOM 25 C LIG 1 6.217 -2.527 -0.634 0.00 0.00 +0.136 C ENDBRANCH 8 20 BRANCH 1 28 ATOM 26 O LIG 1 -1.337 -3.240 -2.135 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -2.013 -2.326 -1.673 0.00 0.00 +0.253 C ATOM 28 N LIG 1 -1.532 -1.258 -0.953 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.199 -0.548 -0.645 0.00 0.00 +0.155 HD BRANCH 27 30 ATOM 30 C LIG 1 -3.453 -2.318 -1.880 0.00 0.00 +0.101 A ATOM 31 C LIG 1 -4.404 -1.422 -1.424 0.00 0.00 +0.168 A ATOM 32 N LIG 1 -5.638 -1.888 -1.900 0.00 0.00 -0.221 N ATOM 33 C LIG 1 -6.814 -1.206 -1.603 0.00 0.00 +0.116 A ATOM 34 C LIG 1 -6.784 -0.095 -0.858 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -5.430 0.320 -0.401 0.00 0.00 +0.114 A ATOM 36 N LIG 1 -5.506 -3.016 -2.633 0.00 0.00 -0.173 NA ATOM 37 N LIG 1 -4.309 -0.286 -0.658 0.00 0.00 -0.235 NA ATOM 38 C LIG 1 -4.197 -3.268 -2.612 0.00 0.00 +0.150 A ENDBRANCH 27 30 ENDBRANCH 1 28 TORSDOF 6