REMARK Name = BDB038497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.918 0.843 -0.549 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.882 0.461 -1.914 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.742 -0.128 -2.492 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.634 -0.310 -1.670 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.701 -0.903 -1.983 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.435 -0.776 -0.731 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.629 -0.234 0.276 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.843 -0.038 1.458 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.670 0.075 -0.335 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.783 0.649 0.250 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.795 -1.171 -0.604 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.546 -0.871 0.543 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.897 -1.250 0.672 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -5.488 -1.975 -0.372 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -4.764 -2.276 -1.523 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.434 -1.868 -1.640 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.673 -0.905 1.879 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.931 0.427 2.286 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -6.631 0.662 3.484 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -7.104 -0.394 4.262 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.874 -1.703 3.860 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.163 -1.954 2.685 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -5.491 1.603 1.532 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -5.863 1.948 0.255 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -6.807 1.298 -0.613 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -5.221 3.114 -0.032 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -4.528 3.503 1.010 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.712 2.565 1.998 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 1.712 -0.544 -3.937 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.886 -0.356 -4.597 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.767 0.136 -4.646 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.401 -1.862 -4.085 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.162 1.482 0.036 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.114 1.502 0.036 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.848 0.716 0.368 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.583 1.526 0.007 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.382 0.702 -0.217 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.429 -0.545 0.549 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.572 -1.430 0.037 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.833 -0.642 -0.333 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6