REMARK Name = BDB015272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.725 -0.610 -2.338 0.00 0.00 +0.154 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.061 -1.705 -2.844 0.00 0.00 -0.388 OA ATOM 3 H LIG 1 -0.908 -1.643 -2.358 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.173 0.645 -2.307 0.00 0.00 +0.118 C BRANCH 4 5 ATOM 5 N LIG 1 -1.415 0.395 -1.539 0.00 0.00 -0.295 NA ATOM 6 C LIG 1 -1.375 1.086 -0.232 0.00 0.00 +0.120 C ATOM 7 C LIG 1 -2.662 0.961 0.555 0.00 0.00 -0.030 A ATOM 8 C LIG 1 -3.877 0.681 -0.094 0.00 0.00 -0.042 A ATOM 9 C LIG 1 -5.063 0.605 0.649 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.047 0.832 2.025 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -3.848 1.131 2.668 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.891 0.397 -1.574 0.00 0.00 +0.051 C ATOM 13 C LIG 1 -2.662 1.199 1.937 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -2.605 0.851 -2.280 0.00 0.00 +0.089 C ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 1.296 -0.977 -0.962 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 O LIG 1 2.392 -1.886 -1.131 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C LIG 1 2.877 -2.404 0.108 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 C LIG 1 3.683 -1.383 0.874 0.00 0.00 -0.022 A ATOM 19 C LIG 1 4.736 -0.698 0.250 0.00 0.00 +0.006 A ATOM 20 C LIG 1 5.490 0.239 0.958 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.203 0.496 2.297 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.164 -0.185 2.930 0.00 0.00 +0.000 A ATOM 23 C LIG 1 3.408 -1.122 2.223 0.00 0.00 +0.006 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 7