REMARK Name = BDB015263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.332 -1.015 -1.576 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.465 -2.099 -2.072 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 -0.805 -1.832 -2.944 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.399 0.348 -1.718 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 -1.617 0.666 -0.960 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -2.626 -0.400 -0.947 0.00 0.00 +0.120 C ATOM 7 C LIG 1 -3.888 -0.010 -0.202 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -3.873 1.028 0.747 0.00 0.00 -0.042 A ATOM 9 C LIG 1 -5.043 1.348 1.448 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.215 0.625 1.229 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -6.228 -0.418 0.306 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -2.616 1.837 0.958 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -5.071 -0.737 -0.404 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -1.362 1.146 0.402 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 0.832 -1.352 -0.166 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 1.611 -0.299 0.401 0.00 0.00 -0.374 OA BRANCH 16 17 ATOM 17 C LIG 1 2.995 -0.324 0.041 0.00 0.00 +0.121 C ATOM 18 C LIG 1 3.773 -1.282 0.945 0.00 0.00 +0.047 C ATOM 19 C LIG 1 5.272 -1.174 0.689 0.00 0.00 +0.083 C ATOM 20 N LIG 1 5.748 0.198 0.852 0.00 0.00 -0.316 NA ATOM 21 H LIG 1 6.750 0.237 0.665 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 5.048 1.127 -0.034 0.00 0.00 +0.083 C ATOM 23 C LIG 1 3.543 1.093 0.203 0.00 0.00 +0.047 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 6