REMARK Name = BDB022647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.499 0.215 1.446 0.00 0.00 +0.139 C ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 3.207 1.091 1.156 0.00 0.00 +0.069 A ATOM 3 C LIG 1 3.369 1.860 2.316 0.00 0.00 +0.145 A ATOM 4 F LIG 1 4.573 2.387 2.594 0.00 0.00 -0.204 F ATOM 5 C LIG 1 2.313 2.102 3.188 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.059 1.565 2.907 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.866 0.783 1.757 0.00 0.00 -0.028 A ATOM 8 C LIG 1 1.946 0.557 0.883 0.00 0.00 +0.031 A BRANCH 2 10 ATOM 9 C LIG 1 4.454 0.180 -0.825 0.00 0.00 +0.238 C ATOM 10 N LIG 1 4.349 0.915 0.343 0.00 0.00 -0.282 N ATOM 11 H LIG 1 5.187 1.339 0.723 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 3.513 -0.390 -1.379 0.00 0.00 -0.273 OA BRANCH 9 15 ATOM 13 C LIG 1 6.109 -2.191 -1.558 0.00 0.00 +0.239 C ATOM 14 N LIG 1 6.162 -0.990 -2.268 0.00 0.00 -0.286 N ATOM 15 C LIG 1 5.857 0.232 -1.506 0.00 0.00 +0.162 C ATOM 16 C LIG 1 7.074 0.614 -0.651 0.00 0.00 +0.032 C ATOM 17 C LIG 1 8.400 0.311 -1.372 0.00 0.00 +0.004 C ATOM 18 C LIG 1 8.229 0.243 -2.892 0.00 0.00 +0.019 C ATOM 19 C LIG 1 7.177 -0.801 -3.308 0.00 0.00 +0.109 C ATOM 20 O LIG 1 5.955 -2.252 -0.341 0.00 0.00 -0.271 OA BRANCH 13 22 ATOM 21 C LIG 1 6.449 -4.611 -1.824 0.00 0.00 +0.013 C ATOM 22 C LIG 1 6.202 -3.422 -2.389 0.00 0.00 +0.060 C ENDBRANCH 13 22 ENDBRANCH 9 15 ENDBRANCH 2 10 ENDBRANCH 1 7 BRANCH 1 23 ATOM 23 N LIG 1 -1.360 1.276 0.981 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -0.924 1.948 0.350 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.698 1.061 0.721 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -3.345 1.954 -0.142 0.00 0.00 -0.183 N ATOM 27 C LIG 1 -4.664 1.804 -0.453 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -4.962 2.833 -1.326 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.728 3.526 -1.473 0.00 0.00 +0.141 A ATOM 30 N LIG 1 -5.372 0.781 0.091 0.00 0.00 -0.195 NA ATOM 31 C LIG 1 -4.730 -0.030 0.897 0.00 0.00 +0.220 A ATOM 32 N LIG 1 -2.732 2.990 -0.760 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -3.393 0.081 1.220 0.00 0.00 -0.181 NA BRANCH 28 34 ATOM 34 C LIG 1 -6.282 3.133 -1.967 0.00 0.00 +0.018 C ATOM 35 C LIG 1 -6.208 3.022 -3.491 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -6.810 4.508 -1.554 0.00 0.00 +0.012 C ENDBRANCH 28 34 BRANCH 31 37 ATOM 37 N LIG 1 -5.459 -1.052 1.433 0.00 0.00 -0.310 N ATOM 38 H LIG 1 -6.351 -1.148 0.962 0.00 0.00 +0.149 HD BRANCH 37 39 ATOM 39 C LIG 1 -4.871 -2.269 1.972 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -4.298 -2.014 3.373 0.00 0.00 +0.050 C ATOM 41 C LIG 1 -4.423 -3.236 4.273 0.00 0.00 +0.161 C ATOM 42 O LIG 1 -4.260 -4.423 3.505 0.00 0.00 -0.380 OA ATOM 43 C LIG 1 -5.345 -4.652 2.607 0.00 0.00 +0.161 C ATOM 44 C LIG 1 -5.930 -3.368 2.025 0.00 0.00 +0.050 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9