REMARK Name = BDB038510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.942 0.355 -1.765 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.264 1.202 -0.881 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.672 1.952 -0.013 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.168 1.074 -1.179 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.321 0.178 -2.229 0.00 0.00 -0.018 A ATOM 6 C LIG 1 2.580 -0.122 -2.713 0.00 0.00 +0.006 A ATOM 7 C LIG 1 3.684 0.495 -2.109 0.00 0.00 +0.005 A ATOM 8 C LIG 1 3.530 1.398 -1.030 0.00 0.00 -0.033 A ATOM 9 C LIG 1 2.240 1.701 -0.569 0.00 0.00 +0.018 A ATOM 10 C LIG 1 -0.015 -0.313 -2.670 0.00 0.00 +0.149 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.596 0.402 -0.863 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.207 0.637 -0.831 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.344 0.120 -1.807 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.908 -0.653 -2.832 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.285 -0.885 -2.890 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.124 -0.356 -1.914 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.073 0.154 1.185 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.467 0.956 0.188 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.706 2.346 0.203 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.523 2.927 1.173 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -7.103 2.124 2.143 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -7.887 2.679 3.077 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -6.886 0.753 2.161 0.00 0.00 +0.050 A BRANCH 17 26 ATOM 24 C LIG 1 -8.165 -2.043 0.558 0.00 0.00 +0.152 C ATOM 25 N LIG 1 -6.806 -2.249 0.981 0.00 0.00 -0.317 N ATOM 26 C LIG 1 -5.859 -1.291 1.250 0.00 0.00 +0.164 A ATOM 27 N LIG 1 -4.739 -1.906 1.579 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -4.956 -3.265 1.530 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -6.201 -3.453 1.168 0.00 0.00 +0.225 A ENDBRANCH 17 26 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 4.750 2.051 -0.414 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 N LIG 1 4.872 1.880 1.034 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 4.050 2.277 1.485 0.00 0.00 +0.122 HD BRANCH 31 33 ATOM 33 C LIG 1 5.054 0.499 1.501 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 C LIG 1 6.334 -0.240 1.037 0.00 0.00 +0.078 C ATOM 35 C LIG 1 7.627 0.549 1.240 0.00 0.00 +0.036 C ATOM 36 C LIG 1 8.731 -0.508 1.222 0.00 0.00 +0.003 C ATOM 37 C LIG 1 8.063 -1.832 1.593 0.00 0.00 +0.003 C ATOM 38 C LIG 1 6.596 -1.504 1.863 0.00 0.00 +0.036 C BRANCH 34 39 ATOM 39 O LIG 1 6.230 -0.631 -0.338 0.00 0.00 -0.387 OA ATOM 40 H LIG 1 5.395 -1.121 -0.433 0.00 0.00 +0.210 HD ENDBRANCH 34 39 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8