REMARK Name = BDB057208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.022 -0.550 -0.914 0.00 0.00 +0.099 A ATOM 2 C LIG 1 -0.183 -1.309 -2.202 0.00 0.00 +0.270 A ATOM 3 O LIG 1 0.778 -1.731 -2.841 0.00 0.00 -0.266 OA ATOM 4 N LIG 1 -1.482 -1.495 -2.604 0.00 0.00 -0.327 N ATOM 5 H LIG 1 -1.610 -1.998 -3.474 0.00 0.00 +0.168 HD ATOM 6 C LIG 1 -2.571 -1.039 -1.904 0.00 0.00 +0.094 A ATOM 7 C LIG 1 -2.418 -0.369 -0.747 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.068 -0.128 -0.253 0.00 0.00 +0.038 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -3.622 0.106 -0.040 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -4.549 -0.796 0.488 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -5.659 -0.291 1.145 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -5.901 1.027 1.305 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -4.986 1.880 0.796 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -3.845 1.474 0.124 0.00 0.00 +0.028 A ENDBRANCH 7 9 BRANCH 1 17 ATOM 15 O LIG 1 1.175 0.968 1.341 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.839 0.322 0.538 0.00 0.00 +0.248 C ATOM 17 N LIG 1 1.341 -0.376 -0.541 0.00 0.00 -0.277 N ATOM 18 H LIG 1 1.996 -0.773 -1.212 0.00 0.00 +0.155 HD BRANCH 16 19 ATOM 19 C LIG 1 3.321 0.297 0.691 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.944 1.406 1.274 0.00 0.00 +0.051 A ATOM 21 C LIG 1 5.324 1.410 1.432 0.00 0.00 +0.124 A ATOM 22 F LIG 1 5.922 2.475 1.981 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.098 0.327 1.029 0.00 0.00 +0.038 A ATOM 24 C LIG 1 5.481 -0.789 0.464 0.00 0.00 +0.004 A ATOM 25 C LIG 1 4.093 -0.808 0.298 0.00 0.00 +0.013 A ENDBRANCH 16 19 ENDBRANCH 1 17 TORSDOF 3