REMARK Name = BDB016138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.633 2.238 0.421 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.881 1.650 -0.772 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -1.858 0.724 -0.333 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.930 0.916 -0.704 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.033 -0.613 0.025 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -3.260 -1.314 0.028 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -3.324 -2.615 0.573 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.199 -3.252 1.085 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.982 -2.591 1.074 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -4.492 -0.868 -0.492 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -5.306 -1.438 -0.298 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.809 0.163 -1.313 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -5.988 0.313 -1.645 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -0.891 -1.288 0.562 0.00 0.00 -0.003 A ATOM 15 C LIG 1 -3.745 1.058 -1.859 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 0.421 -0.613 0.659 0.00 0.00 +0.006 C ATOM 17 C LIG 1 1.515 -1.065 0.025 0.00 0.00 -0.023 C BRANCH 17 18 ATOM 18 C LIG 1 2.905 -0.464 0.046 0.00 0.00 +0.012 C ATOM 19 C LIG 1 3.429 -0.274 -1.385 0.00 0.00 +0.007 C ATOM 20 C LIG 1 4.916 0.097 -1.410 0.00 0.00 +0.001 C ATOM 21 C LIG 1 5.408 0.756 -0.123 0.00 0.00 +0.000 C ATOM 22 C LIG 1 4.333 1.633 0.503 0.00 0.00 +0.001 C ATOM 23 C LIG 1 3.054 0.855 0.834 0.00 0.00 +0.007 C ENDBRANCH 17 18 ENDBRANCH 14 16 TORSDOF 2