REMARK Name = BDB063183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.942 0.566 0.264 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.948 0.664 -0.689 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -3.259 0.288 -0.365 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.607 -0.165 0.917 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.566 -0.235 1.860 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.254 0.139 1.547 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.893 -0.555 1.253 0.00 0.00 -0.324 N ATOM 8 C LIG 1 -6.010 -0.641 0.294 0.00 0.00 +0.087 C ATOM 9 C LIG 1 -7.250 -0.746 1.199 0.00 0.00 +0.056 C ATOM 10 C LIG 1 -6.874 0.098 2.410 0.00 0.00 +0.143 C ATOM 11 C LIG 1 -5.396 -0.274 2.607 0.00 0.00 +0.137 C BRANCH 8 12 ATOM 12 C LIG 1 -5.882 -1.855 -0.618 0.00 0.00 +0.143 C BRANCH 12 13 ATOM 13 C LIG 1 -6.911 -1.784 -1.702 0.00 0.00 +0.306 C ATOM 14 O LIG 1 -8.021 -2.287 -1.680 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -6.511 -1.050 -2.757 0.00 0.00 -0.481 OA ATOM 16 H LIG 1 -7.263 -1.104 -3.386 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 8 12 BRANCH 10 17 ATOM 17 O LIG 1 -7.625 -0.225 3.571 0.00 0.00 -0.317 OA BRANCH 17 18 ATOM 18 C LIG 1 -8.916 0.353 3.562 0.00 0.00 +0.483 C ATOM 19 F LIG 1 -9.652 -0.234 2.592 0.00 0.00 -0.178 F ATOM 20 F LIG 1 -9.501 0.052 4.745 0.00 0.00 -0.178 F ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 4 7 BRANCH 1 21 ATOM 21 O LIG 1 0.347 0.949 0.027 0.00 0.00 -0.488 OA BRANCH 21 26 ATOM 22 N LIG 1 3.896 -0.142 -1.454 0.00 0.00 -0.327 N ATOM 23 C LIG 1 3.059 0.546 -2.452 0.00 0.00 +0.112 C ATOM 24 C LIG 1 1.904 1.281 -1.772 0.00 0.00 +0.044 C ATOM 25 C LIG 1 1.121 2.129 -2.775 0.00 0.00 +0.013 C ATOM 26 C LIG 1 0.983 0.261 -1.070 0.00 0.00 +0.179 C ATOM 27 C LIG 1 1.759 -0.949 -0.524 0.00 0.00 +0.064 C ATOM 28 C LIG 1 3.210 -0.592 -0.225 0.00 0.00 +0.109 C BRANCH 22 31 ATOM 29 C LIG 1 7.482 -0.080 -0.441 0.00 0.00 +0.122 A ATOM 30 C LIG 1 6.180 -0.506 -0.740 0.00 0.00 +0.071 A ATOM 31 C LIG 1 5.178 0.379 -1.180 0.00 0.00 +0.069 A ATOM 32 C LIG 1 5.543 1.730 -1.300 0.00 0.00 +0.145 A ATOM 33 F LIG 1 4.647 2.658 -1.671 0.00 0.00 -0.204 F ATOM 34 C LIG 1 6.832 2.172 -1.000 0.00 0.00 +0.044 A ATOM 35 C LIG 1 7.803 1.269 -0.569 0.00 0.00 +0.048 A BRANCH 29 36 ATOM 36 O LIG 1 8.322 -1.075 -0.028 0.00 0.00 -0.492 OA BRANCH 36 38 ATOM 37 C LIG 1 9.991 -0.335 1.566 0.00 0.00 +0.048 C ATOM 38 C LIG 1 9.708 -0.785 0.143 0.00 0.00 +0.225 C ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 22 31 ENDBRANCH 21 26 ENDBRANCH 1 21 TORSDOF 11