REMARK Name = BDB062074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 5.157 -1.524 2.240 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 4.953 -0.594 1.469 0.00 0.00 +0.271 A ATOM 3 C LIG 1 3.654 -0.427 0.788 0.00 0.00 +0.053 A ATOM 4 C LIG 1 3.448 0.639 -0.083 0.00 0.00 +0.056 A ATOM 5 C LIG 1 2.212 0.789 -0.723 0.00 0.00 +0.059 A ATOM 6 C LIG 1 1.178 -0.125 -0.498 0.00 0.00 +0.121 A ATOM 7 C LIG 1 1.388 -1.191 0.377 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.529 1.613 -0.333 0.00 0.00 +0.271 A ATOM 9 O LIG 1 4.378 2.561 -1.094 0.00 0.00 -0.266 OA ATOM 10 N LIG 1 5.714 1.405 0.330 0.00 0.00 -0.263 N ATOM 11 H LIG 1 6.468 2.067 0.167 0.00 0.00 +0.190 HD ATOM 12 C LIG 1 2.622 -1.344 1.019 0.00 0.00 +0.017 A ATOM 13 N LIG 1 5.919 0.343 1.196 0.00 0.00 -0.263 N ATOM 14 H LIG 1 6.819 0.244 1.657 0.00 0.00 +0.190 HD ENDROOT BRANCH 6 15 ATOM 15 O LIG 1 0.030 0.146 -1.185 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 -1.075 -0.754 -1.081 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 -1.972 -0.418 0.125 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -3.154 -1.401 0.230 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -4.428 -0.839 -0.389 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -4.871 0.455 0.297 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -3.711 1.272 0.867 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -2.428 1.055 0.075 0.00 0.00 +0.007 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 6 15 TORSDOF 3