REMARK Name = BDB018727 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.570 -0.046 0.292 0.00 0.00 -0.266 N ATOM 2 C LIG 1 -2.338 -0.890 0.418 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -1.121 0.009 0.079 0.00 0.00 +0.163 C ATOM 4 C LIG 1 -0.398 0.428 1.393 0.00 0.00 +0.251 C ATOM 5 O LIG 1 -1.036 0.694 2.418 0.00 0.00 -0.272 OA ATOM 6 N LIG 1 0.946 0.653 1.432 0.00 0.00 -0.283 N ATOM 7 H LIG 1 1.219 1.143 2.277 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 1.988 0.227 0.597 0.00 0.00 +0.039 A ATOM 9 C LIG 1 1.862 -0.779 -0.368 0.00 0.00 -0.001 A ATOM 10 C LIG 1 2.990 -1.143 -1.128 0.00 0.00 +0.008 A ATOM 11 C LIG 1 4.224 -0.529 -0.921 0.00 0.00 +0.000 A ATOM 12 C LIG 1 4.351 0.450 0.056 0.00 0.00 +0.002 A ATOM 13 C LIG 1 0.575 -1.512 -0.580 0.00 0.00 +0.198 C ATOM 14 C LIG 1 3.240 0.820 0.815 0.00 0.00 +0.023 A ATOM 15 O LIG 1 -0.388 -0.562 -0.993 0.00 0.00 -0.358 OA ATOM 16 C LIG 1 -1.778 1.269 -0.510 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -3.131 1.362 0.171 0.00 0.00 +0.120 C ENDROOT BRANCH 1 19 ATOM 18 N LIG 1 -5.790 -0.731 1.206 0.00 0.00 -0.174 NA ATOM 19 C LIG 1 -4.762 -0.411 0.782 0.00 0.00 +0.169 C ENDBRANCH 1 19 TORSDOF 1