REMARK Name = BDB005564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.842 -2.326 -1.318 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -2.840 -1.693 -1.001 0.00 0.00 +0.254 A ATOM 3 C LIG 1 -2.922 -0.427 -0.224 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -4.300 0.050 0.152 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -4.273 1.151 1.217 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -3.184 2.172 0.910 0.00 0.00 +0.102 C ATOM 7 N LIG 1 -1.903 1.488 0.774 0.00 0.00 -0.343 N ATOM 8 H LIG 1 -1.137 2.120 0.562 0.00 0.00 +0.146 HD ATOM 9 C LIG 1 -1.815 0.269 0.105 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -0.482 -0.268 -0.262 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -0.417 -1.450 -1.012 0.00 0.00 +0.051 A ATOM 12 C LIG 1 0.809 -1.993 -1.403 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.000 -1.365 -1.032 0.00 0.00 +0.048 A ATOM 14 C LIG 1 1.964 -0.204 -0.263 0.00 0.00 +0.121 A ATOM 15 C LIG 1 0.727 0.335 0.118 0.00 0.00 +0.057 A ATOM 16 N LIG 1 -1.594 -2.115 -1.365 0.00 0.00 -0.322 N ATOM 17 H LIG 1 -1.561 -2.976 -1.893 0.00 0.00 +0.169 HD ENDROOT BRANCH 14 18 ATOM 18 O LIG 1 3.050 0.501 0.179 0.00 0.00 -0.490 OA BRANCH 18 19 ATOM 19 C LIG 1 4.338 -0.030 -0.124 0.00 0.00 +0.256 C BRANCH 19 20 ATOM 20 C LIG 1 5.396 0.889 0.479 0.00 0.00 +0.196 C BRANCH 20 21 ATOM 21 O LIG 1 6.704 0.373 0.258 0.00 0.00 -0.392 OA ATOM 22 H LIG 1 6.816 -0.398 0.841 0.00 0.00 +0.210 HD ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 14 18 TORSDOF 4