REMARK Name = BDB003197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.111 -0.926 -1.603 0.00 0.00 +0.140 C ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -4.776 2.347 -2.533 0.00 0.00 +0.065 C ATOM 3 C LIG 1 -4.163 1.294 -1.659 0.00 0.00 +0.039 A ATOM 4 N LIG 1 -4.816 0.979 -0.521 0.00 0.00 -0.252 NA ATOM 5 C LIG 1 -4.300 0.037 0.285 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -3.093 -0.642 0.001 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -2.629 -1.613 0.921 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -3.338 -1.905 2.085 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.522 -1.233 2.351 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.420 -0.298 -1.199 0.00 0.00 -0.019 A ATOM 11 C LIG 1 -4.987 -0.273 1.451 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -2.972 0.688 -2.027 0.00 0.00 +0.028 A ENDBRANCH 1 10 BRANCH 1 13 ATOM 13 N LIG 1 -0.018 -0.384 -0.829 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -0.143 0.521 -0.395 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 1.246 -0.934 -0.919 0.00 0.00 +0.251 C ATOM 16 O LIG 1 1.481 -1.931 -1.595 0.00 0.00 -0.272 OA BRANCH 15 17 ATOM 17 C LIG 1 2.293 -0.183 -0.090 0.00 0.00 +0.324 C BRANCH 17 18 ATOM 18 O LIG 1 3.585 -0.744 -0.263 0.00 0.00 -0.483 OA BRANCH 18 19 ATOM 19 C LIG 1 4.614 -0.165 0.426 0.00 0.00 +0.121 A ATOM 20 C LIG 1 5.863 -0.753 0.206 0.00 0.00 +0.045 A ATOM 21 C LIG 1 7.003 -0.263 0.845 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.900 0.823 1.710 0.00 0.00 +0.000 A ATOM 23 C LIG 1 5.658 1.415 1.935 0.00 0.00 +0.004 A ATOM 24 C LIG 1 4.516 0.923 1.295 0.00 0.00 +0.045 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 13 TORSDOF 5