REMARK Name = BDB020084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.082 -0.918 1.746 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.011 -2.188 1.163 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.264 -2.745 0.861 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.419 -2.011 1.176 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.340 -0.739 1.765 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.079 -0.201 2.051 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.364 -4.067 0.224 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -1.827 -4.235 -1.104 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.910 -5.530 -1.647 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -1.524 -6.634 -0.897 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -1.605 -7.858 -1.433 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -1.058 -6.485 0.400 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -0.979 -5.208 0.958 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -2.264 -3.062 -1.951 0.00 0.00 +0.372 C ATOM 15 F LIG 1 -3.517 -2.631 -1.632 0.00 0.00 -0.204 F ATOM 16 F LIG 1 -2.311 -3.357 -3.283 0.00 0.00 -0.204 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 2.408 -0.567 1.157 0.00 0.00 -0.304 N ATOM 18 H LIG 1 2.152 -0.939 0.255 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.399 -0.306 2.060 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.528 0.402 3.051 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.664 0.152 1.227 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 3.856 2.575 -3.257 0.00 0.00 +0.047 C ATOM 23 C LIG 1 3.637 2.581 -1.775 0.00 0.00 -0.015 A ATOM 24 C LIG 1 3.352 3.776 -1.113 0.00 0.00 +0.126 A ATOM 25 F LIG 1 3.248 4.917 -1.810 0.00 0.00 -0.205 F ATOM 26 C LIG 1 3.164 3.810 0.263 0.00 0.00 +0.039 A ATOM 27 C LIG 1 3.275 2.633 1.003 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.589 1.414 0.376 0.00 0.00 -0.027 A ATOM 29 C LIG 1 3.757 1.403 -1.021 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 4.774 -0.774 0.789 0.00 0.00 +0.014 C ATOM 31 C LIG 1 5.474 -1.645 1.805 0.00 0.00 +0.006 C ATOM 32 C LIG 1 6.207 -0.494 1.175 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -3.594 0.067 2.030 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.907 0.915 0.899 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -3.450 2.233 0.780 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -2.772 2.896 1.650 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -2.593 3.827 1.264 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -3.883 2.628 -0.493 0.00 0.00 -0.314 N ATOM 39 C LIG 1 -4.467 1.554 -1.146 0.00 0.00 +0.107 A ATOM 40 C LIG 1 -4.504 0.519 -0.293 0.00 0.00 +0.107 A BRANCH 38 41 ATOM 41 C LIG 1 -3.290 3.738 -1.226 0.00 0.00 +0.090 C ATOM 42 C LIG 1 -3.591 5.168 -0.862 0.00 0.00 +0.027 C ATOM 43 C LIG 1 -4.104 4.604 -2.153 0.00 0.00 +0.027 C ENDBRANCH 38 41 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9