REMARK Name = BDB036151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.785 -1.012 -2.065 0.00 0.00 +0.186 A ATOM 2 C LIG 1 2.549 -1.054 -2.702 0.00 0.00 +0.167 A ATOM 3 N LIG 1 2.464 -1.230 -4.041 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 3.612 -1.342 -4.725 0.00 0.00 +0.223 A ATOM 5 N LIG 1 4.846 -1.295 -4.209 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 4.900 -1.114 -2.877 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.339 -0.897 -1.998 0.00 0.00 -0.311 N ATOM 8 C LIG 1 0.050 -1.292 -2.484 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.462 -1.149 -1.030 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -1.064 0.224 -0.681 0.00 0.00 +0.025 C ATOM 11 C LIG 1 -2.589 0.137 -0.720 0.00 0.00 +0.085 C ATOM 12 N LIG 1 -3.116 -0.779 0.309 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 -2.204 -1.897 0.607 0.00 0.00 +0.085 C ATOM 14 C LIG 1 -1.359 -2.314 -0.595 0.00 0.00 +0.025 C ATOM 15 C LIG 1 1.036 -1.274 -0.649 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 -4.476 -1.253 -0.006 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 -5.531 -0.126 -0.087 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -6.935 -0.658 -0.481 0.00 0.00 -0.006 C ATOM 19 C LIG 1 -7.839 0.559 -0.781 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -7.921 1.488 0.469 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -7.122 0.844 1.631 0.00 0.00 -0.001 C ATOM 22 C LIG 1 -7.678 -0.563 1.927 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -9.376 1.783 0.831 0.00 0.00 +0.131 C ATOM 24 C LIG 1 -9.706 2.936 -0.070 0.00 0.00 +0.308 C ATOM 25 O LIG 1 -10.830 3.309 -0.363 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 -8.558 3.539 -0.494 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 -7.445 2.899 0.133 0.00 0.00 +0.239 C ATOM 28 C LIG 1 -7.577 -1.444 0.676 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -5.642 0.674 1.231 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 3.890 -0.790 -0.720 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 5.286 -1.178 1.167 0.00 0.00 +0.082 A ATOM 32 C LIG 1 4.625 -1.679 0.035 0.00 0.00 +0.141 A ATOM 33 C LIG 1 4.688 -3.052 -0.238 0.00 0.00 +0.050 A ATOM 34 C LIG 1 5.432 -3.894 0.594 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.089 -3.370 1.705 0.00 0.00 +0.124 A ATOM 36 F LIG 1 6.792 -4.188 2.498 0.00 0.00 -0.205 F ATOM 37 C LIG 1 6.018 -2.019 2.009 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 6.176 1.147 1.121 0.00 0.00 -0.292 N ATOM 39 C LIG 1 5.172 0.243 1.526 0.00 0.00 +0.251 C ATOM 40 O LIG 1 4.190 0.547 2.200 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 7.216 3.329 1.947 0.00 0.00 +0.028 C ATOM 42 C LIG 1 5.963 2.553 1.548 0.00 0.00 +0.070 C ATOM 43 C LIG 1 5.117 3.335 0.540 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 7.292 0.744 0.222 0.00 0.00 +0.070 C ATOM 45 C LIG 1 8.625 0.607 0.959 0.00 0.00 +0.028 C ATOM 46 C LIG 1 7.422 1.579 -1.050 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8