REMARK Name = BDB007956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.190 -1.448 -1.298 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -1.137 -1.281 -1.704 0.00 0.00 -0.291 N ATOM 3 O LIG 1 1.024 -0.558 -1.470 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.539 -2.781 -0.600 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 3.976 -1.148 1.424 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.817 -1.411 -0.075 0.00 0.00 +0.027 C ATOM 7 C LIG 1 2.990 -2.666 -0.348 0.00 0.00 +0.085 C ATOM 8 N LIG 1 1.690 -2.710 0.322 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.498 -1.745 1.405 0.00 0.00 +0.085 C ATOM 10 C LIG 1 2.755 -1.574 2.252 0.00 0.00 +0.027 C BRANCH 5 12 ATOM 11 O LIG 1 5.000 0.432 2.919 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 4.449 0.251 1.830 0.00 0.00 +0.166 C BRANCH 12 13 ATOM 13 C LIG 1 4.295 1.433 0.945 0.00 0.00 +0.018 A ATOM 14 C LIG 1 5.405 2.275 0.782 0.00 0.00 +0.014 A ATOM 15 C LIG 1 5.316 3.403 -0.035 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.117 3.687 -0.680 0.00 0.00 +0.123 A ATOM 17 F LIG 1 4.032 4.764 -1.470 0.00 0.00 -0.205 F ATOM 18 C LIG 1 3.004 2.872 -0.509 0.00 0.00 +0.039 A ATOM 19 C LIG 1 3.085 1.751 0.322 0.00 0.00 +0.014 A ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 20 ATOM 20 C LIG 1 -2.052 -2.407 -1.959 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 C LIG 1 -3.133 -2.575 -0.878 0.00 0.00 +0.136 C ATOM 22 O LIG 1 -4.129 -1.540 -1.057 0.00 0.00 -0.375 OA ATOM 23 C LIG 1 -5.392 -2.161 -1.345 0.00 0.00 +0.160 C ATOM 24 C LIG 1 -5.074 -3.558 -1.824 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -3.872 -3.903 -0.982 0.00 0.00 +0.035 C ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 2 26 ATOM 26 C LIG 1 -1.543 0.064 -2.138 0.00 0.00 +0.182 C BRANCH 26 27 ATOM 27 C LIG 1 -1.809 0.981 -0.941 0.00 0.00 +0.127 A ATOM 28 N LIG 1 -2.944 0.712 -0.224 0.00 0.00 -0.309 N ATOM 29 H LIG 1 -3.551 -0.059 -0.490 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 -3.320 1.430 0.871 0.00 0.00 +0.257 A ATOM 31 O LIG 1 -4.339 1.187 1.506 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 -2.412 2.529 1.229 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -2.749 3.361 2.423 0.00 0.00 +0.202 C ATOM 34 O LIG 1 -1.657 4.206 2.824 0.00 0.00 -0.375 OA ATOM 35 C LIG 1 -1.065 4.874 1.708 0.00 0.00 +0.166 C ATOM 36 C LIG 1 -0.395 3.856 0.786 0.00 0.00 +0.084 C ATOM 37 C LIG 1 -1.329 2.719 0.460 0.00 0.00 +0.056 A ATOM 38 N LIG 1 -1.006 1.954 -0.637 0.00 0.00 -0.237 NA ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 8