REMARK Name = BDB036004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.112 -0.098 0.746 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.687 1.223 1.021 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.321 1.565 1.083 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.397 0.547 0.862 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.097 0.598 0.856 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.485 -0.778 0.568 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.636 -1.599 0.404 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.730 -2.786 0.154 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.819 -0.749 0.593 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.155 -1.100 0.528 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.848 -1.177 0.478 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.882 -0.240 0.648 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.249 -0.591 0.557 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.569 -1.927 0.293 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.558 -2.872 0.127 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.215 -2.499 0.217 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.284 0.519 0.729 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.239 1.543 -0.374 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.279 1.317 -1.729 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.362 0.069 -2.438 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.200 2.542 -2.319 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.117 3.471 -1.399 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.139 2.846 -0.178 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.716 0.017 0.948 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -7.750 1.084 1.423 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -8.395 -0.023 2.278 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -7.018 -0.713 2.293 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.870 2.973 1.366 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.184 3.511 0.322 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.892 3.831 1.631 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.033 3.039 2.438 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.589 -0.435 0.682 0.00 0.00 +0.119 C BRANCH 32 38 ATOM 33 C LIG 1 9.855 -1.006 -1.069 0.00 0.00 +0.039 C ATOM 34 C LIG 1 8.457 -0.405 -1.116 0.00 0.00 +0.129 C ATOM 35 O LIG 1 8.223 0.037 -2.464 0.00 0.00 -0.374 OA ATOM 36 C LIG 1 6.841 -0.013 -2.846 0.00 0.00 +0.175 C ATOM 37 C LIG 1 5.893 0.199 -1.658 0.00 0.00 +0.113 C ATOM 38 N LIG 1 6.017 -0.879 -0.651 0.00 0.00 -0.294 NA ATOM 39 C LIG 1 7.396 -1.418 -0.633 0.00 0.00 +0.116 C ENDBRANCH 32 38 ENDBRANCH 1 32 TORSDOF 7