REMARK Name = BDB003264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.090 -2.220 -0.776 0.00 0.00 -0.285 OA ATOM 2 C LIG 1 -0.535 -1.194 -0.324 0.00 0.00 +0.215 C ATOM 3 C LIG 1 -1.938 -0.902 -0.097 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -1.976 0.373 0.424 0.00 0.00 +0.096 A ATOM 5 C LIG 1 -3.167 0.985 0.765 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -4.341 0.253 0.557 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.296 -1.053 0.023 0.00 0.00 +0.001 A ATOM 8 N LIG 1 -0.648 0.910 0.540 0.00 0.00 -0.128 N ATOM 9 O LIG 1 -0.436 2.074 0.997 0.00 0.00 -0.163 OA ATOM 10 C LIG 1 -3.077 -1.649 -0.313 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.245 0.036 0.116 0.00 0.00 +0.140 C ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 1.714 0.201 0.070 0.00 0.00 +0.006 A ATOM 13 C LIG 1 2.347 1.376 0.499 0.00 0.00 +0.010 A ATOM 14 C LIG 1 3.740 1.510 0.446 0.00 0.00 +0.001 A ATOM 15 C LIG 1 4.525 0.470 -0.037 0.00 0.00 +0.000 A ATOM 16 C LIG 1 3.917 -0.702 -0.467 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.524 -0.835 -0.414 0.00 0.00 +0.010 A ENDBRANCH 11 12 TORSDOF 1