REMARK Name = BDB038659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.011 2.003 -0.623 0.00 0.00 +0.217 A ATOM 2 N LIG 1 0.707 1.694 -0.502 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 0.374 0.615 0.243 0.00 0.00 +0.132 A ATOM 4 C LIG 1 1.345 -0.185 0.837 0.00 0.00 +0.052 A ATOM 5 C LIG 1 2.702 0.129 0.679 0.00 0.00 -0.009 A ATOM 6 C LIG 1 3.031 1.269 -0.053 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.000 0.345 0.376 0.00 0.00 -0.247 N ATOM 8 C LIG 1 -1.605 -0.597 1.195 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.134 -1.373 2.005 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.049 -0.501 0.949 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -3.271 0.504 0.015 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -4.552 0.807 -0.408 0.00 0.00 +0.126 A ATOM 13 C LIG 1 -5.608 0.068 0.141 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -5.380 -0.955 1.098 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -4.073 -1.243 1.508 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -1.970 1.118 -0.383 0.00 0.00 +0.155 C BRANCH 12 17 ATOM 17 O LIG 1 -4.657 1.809 -1.327 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 -5.963 2.110 -1.804 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 14 19 ATOM 19 C LIG 1 -6.546 -1.725 1.659 0.00 0.00 +0.191 C BRANCH 19 20 ATOM 20 O LIG 1 -7.191 -2.453 0.622 0.00 0.00 -0.390 OA ATOM 21 H LIG 1 -6.495 -2.797 0.036 0.00 0.00 +0.210 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 3 7 BRANCH 5 22 ATOM 22 C LIG 1 3.754 -0.718 1.270 0.00 0.00 -0.007 A ATOM 23 C LIG 1 3.996 -2.049 0.846 0.00 0.00 +0.030 A ATOM 24 C LIG 1 4.988 -2.816 1.478 0.00 0.00 +0.050 A ATOM 25 C LIG 1 5.749 -2.263 2.499 0.00 0.00 +0.124 A ATOM 26 F LIG 1 6.703 -2.999 3.083 0.00 0.00 -0.205 F ATOM 27 C LIG 1 5.541 -0.958 2.918 0.00 0.00 +0.039 A ATOM 28 C LIG 1 4.548 -0.190 2.310 0.00 0.00 +0.012 A BRANCH 23 29 ATOM 29 C LIG 1 3.244 -2.675 -0.238 0.00 0.00 +0.164 A ATOM 30 N LIG 1 3.428 -2.447 -1.580 0.00 0.00 -0.317 N ATOM 31 C LIG 1 4.410 -1.602 -2.201 0.00 0.00 +0.152 C ATOM 32 C LIG 1 2.530 -3.234 -2.230 0.00 0.00 +0.225 A ATOM 33 N LIG 1 1.841 -3.927 -1.356 0.00 0.00 -0.138 NA ATOM 34 N LIG 1 2.297 -3.584 -0.104 0.00 0.00 -0.129 NA ENDBRANCH 23 29 ENDBRANCH 5 22 BRANCH 1 35 ATOM 35 O LIG 1 2.398 3.107 -1.356 0.00 0.00 -0.477 OA BRANCH 35 37 ATOM 36 C LIG 1 0.762 4.863 -0.965 0.00 0.00 +0.048 C ATOM 37 C LIG 1 1.326 3.848 -1.944 0.00 0.00 +0.227 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8