REMARK Name = BDB007957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.293 -1.497 -0.298 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -1.620 -1.463 -0.732 0.00 0.00 -0.291 N ATOM 3 O LIG 1 0.597 -0.953 -0.956 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.003 -2.225 1.034 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 3.786 -0.317 1.910 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.459 -1.119 0.652 0.00 0.00 +0.027 C ATOM 7 C LIG 1 2.465 -2.239 0.967 0.00 0.00 +0.085 C ATOM 8 N LIG 1 1.264 -1.807 1.690 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.240 -0.396 2.083 0.00 0.00 +0.085 C ATOM 10 C LIG 1 2.549 0.046 2.739 0.00 0.00 +0.027 C BRANCH 5 12 ATOM 11 O LIG 1 5.618 1.119 2.484 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 4.705 0.884 1.688 0.00 0.00 +0.166 C BRANCH 12 13 ATOM 13 C LIG 1 4.543 1.812 0.531 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.298 2.137 -0.018 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.220 3.023 -1.097 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.380 3.594 -1.608 0.00 0.00 +0.123 A ATOM 17 F LIG 1 4.299 4.445 -2.638 0.00 0.00 -0.205 F ATOM 18 C LIG 1 5.622 3.299 -1.060 0.00 0.00 +0.039 A ATOM 19 C LIG 1 5.704 2.411 0.013 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 -2.693 -2.330 -0.232 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 C LIG 1 -3.019 -3.499 -1.172 0.00 0.00 +0.136 C ATOM 22 O LIG 1 -4.206 -4.174 -0.709 0.00 0.00 -0.375 OA ATOM 23 C LIG 1 -4.032 -5.587 -0.910 0.00 0.00 +0.160 C ATOM 24 C LIG 1 -2.744 -5.768 -1.687 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.940 -4.567 -1.250 0.00 0.00 +0.035 C ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 2 26 ATOM 26 C LIG 1 -1.943 -0.519 -1.810 0.00 0.00 +0.182 C BRANCH 26 27 ATOM 27 C LIG 1 -2.325 0.825 -1.191 0.00 0.00 +0.127 A ATOM 28 N LIG 1 -3.649 0.989 -0.880 0.00 0.00 -0.309 N ATOM 29 H LIG 1 -4.330 0.264 -1.051 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 -4.124 2.108 -0.261 0.00 0.00 +0.257 A ATOM 31 O LIG 1 -5.297 2.218 0.078 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 -3.125 3.160 -0.020 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -3.579 4.445 0.592 0.00 0.00 +0.202 C ATOM 34 O LIG 1 -2.580 5.475 0.497 0.00 0.00 -0.375 OA ATOM 35 C LIG 1 -1.286 4.999 0.877 0.00 0.00 +0.166 C ATOM 36 C LIG 1 -0.798 3.950 -0.123 0.00 0.00 +0.084 C ATOM 37 C LIG 1 -1.856 2.904 -0.376 0.00 0.00 +0.056 A ATOM 38 N LIG 1 -1.429 1.731 -0.950 0.00 0.00 -0.237 NA ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 8