REMARK Name = BDB037895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.362 1.229 0.704 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.527 2.096 1.313 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.198 1.834 1.241 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.401 0.740 0.599 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.478 -0.155 -0.028 0.00 0.00 -0.009 A ATOM 6 C LIG 1 1.867 0.109 0.038 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.564 2.186 1.085 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.642 2.535 2.075 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.053 3.176 3.179 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.287 2.227 1.949 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.798 1.548 0.819 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.738 1.216 -0.170 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.353 0.594 -1.295 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.099 1.522 -0.047 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.826 2.190 0.340 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.863 2.540 1.325 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.792 0.674 0.618 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.465 1.399 -0.473 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.942 1.763 -0.082 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.651 0.495 0.456 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.846 -0.224 1.545 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.437 -0.557 1.057 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.933 2.781 1.004 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.334 3.554 0.700 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.859 3.201 1.105 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.657 2.317 -1.355 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -6.162 2.562 -1.188 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.396 3.479 -0.217 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.638 3.102 -2.344 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.990 3.528 -1.778 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.624 4.028 -2.328 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.048 -1.370 -0.827 0.00 0.00 +0.122 C BRANCH 32 33 ATOM 33 N LIG 1 -0.233 -2.579 -0.025 0.00 0.00 -0.293 NA ATOM 34 C LIG 1 -0.718 -3.676 -0.895 0.00 0.00 +0.082 C ATOM 35 C LIG 1 0.530 -4.452 -1.336 0.00 0.00 +0.022 C ATOM 36 C LIG 1 1.649 -3.987 -0.414 0.00 0.00 +0.017 C ATOM 37 C LIG 1 0.956 -3.139 0.636 0.00 0.00 +0.085 C BRANCH 34 38 ATOM 38 C LIG 1 -1.716 -4.577 -0.137 0.00 0.00 +0.174 C BRANCH 38 39 ATOM 39 O LIG 1 -2.292 -5.545 -1.012 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 -2.836 -5.064 -1.658 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 11