REMARK Name = BDB064766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.924 0.949 -0.105 0.00 0.00 +0.068 C ATOM 2 C LIG 1 0.157 -0.080 0.287 0.00 0.00 +0.013 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.298 -0.134 0.084 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -2.116 0.995 0.222 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -3.499 0.895 0.049 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -4.079 -0.334 -0.255 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.278 -1.467 -0.379 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.895 -1.369 -0.204 0.00 0.00 +0.008 A ENDBRANCH 2 3 BRANCH 1 12 ATOM 9 C LIG 1 4.490 -0.227 0.133 0.00 0.00 +0.128 C ATOM 10 N LIG 1 3.052 -0.177 0.067 0.00 0.00 -0.315 N ATOM 11 H LIG 1 2.565 -0.984 -0.299 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 2.388 1.021 0.126 0.00 0.00 +0.237 C ATOM 13 O LIG 1 2.929 2.108 0.291 0.00 0.00 -0.271 OA ENDBRANCH 1 12 TORSDOF 2