REMARK Name = BDB039202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.865 1.415 -0.349 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.992 0.388 -0.035 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.572 0.625 -0.266 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.655 -0.397 0.357 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.153 -1.532 1.037 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.279 -2.460 1.619 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.891 -2.315 1.528 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.405 -1.197 0.841 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.863 -0.735 0.541 0.00 0.00 -0.307 N ATOM 10 C LIG 1 -0.727 0.450 -0.159 0.00 0.00 +0.200 A ATOM 11 N LIG 1 0.537 0.725 -0.369 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.643 -1.716 1.189 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.254 -0.258 0.261 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.417 -1.000 0.085 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.509 2.546 -0.661 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.806 1.161 -0.595 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -1.633 1.867 -1.877 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -0.929 3.211 -1.713 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -1.613 4.084 -0.654 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -1.768 3.301 0.655 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -2.491 1.978 0.422 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 22 C LIG 1 -0.832 5.366 -0.465 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.097 5.896 -1.282 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.079 5.982 0.707 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -0.521 6.787 0.666 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.100 2.075 -0.582 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.170 1.036 -0.272 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.128 -1.432 0.785 0.00 0.00 +0.109 C ATOM 29 C LIG 1 -2.408 -1.599 2.282 0.00 0.00 +0.033 C BRANCH 28 30 ATOM 30 C LIG 1 -2.182 -2.741 -0.010 0.00 0.00 +0.168 C BRANCH 30 31 ATOM 31 N LIG 1 -3.533 -3.256 -0.136 0.00 0.00 -0.269 N ATOM 32 N LIG 1 -4.018 -4.099 0.792 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 -5.252 -4.370 0.361 0.00 0.00 +0.146 A ATOM 34 C LIG 1 -5.569 -3.704 -0.841 0.00 0.00 +0.092 A ATOM 35 C LIG 1 -4.422 -2.987 -1.135 0.00 0.00 +0.120 A BRANCH 34 36 ATOM 36 C LIG 1 -6.846 -3.777 -1.585 0.00 0.00 +0.420 C ATOM 37 F LIG 1 -7.524 -2.603 -1.534 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -7.676 -4.732 -1.092 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -6.652 -4.064 -2.897 0.00 0.00 -0.166 F ENDBRANCH 34 36 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8