REMARK Name = BDB037359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.969 -1.635 0.735 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.387 -1.355 0.453 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.060 -0.075 0.128 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.226 -0.350 -0.835 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.032 -1.639 -0.524 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.340 -2.772 -0.054 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.239 -1.671 -0.791 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.025 -2.581 0.407 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.078 -3.493 0.883 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.175 -2.955 0.815 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.415 0.566 1.464 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.415 0.068 2.320 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.713 0.715 3.520 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.020 1.863 3.876 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.311 2.480 5.028 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.030 2.378 3.053 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.728 1.732 1.853 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -0.226 -4.756 1.509 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -1.329 -5.025 2.322 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.448 -6.270 2.944 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -0.457 -7.237 2.776 0.00 0.00 +0.000 A ATOM 22 C LIG 1 0.668 -6.954 2.003 0.00 0.00 +0.002 A ATOM 23 C LIG 1 0.795 -5.712 1.382 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.140 0.787 -0.961 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.114 0.623 -0.715 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -2.779 1.924 -1.645 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -1.709 2.051 -2.229 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -3.778 3.021 -1.649 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -4.562 3.291 -0.516 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -5.470 4.363 -0.521 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -5.586 5.149 -1.680 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.799 4.882 -2.805 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.890 3.826 -2.787 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.308 4.648 0.705 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -5.576 4.640 1.854 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.294 3.721 0.880 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.934 5.859 0.670 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -2.992 -4.064 -0.270 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -4.213 -4.303 0.612 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 2.098 -0.672 0.885 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 2.949 1.079 -0.592 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.497 -0.205 -0.423 0.00 0.00 -0.306 N ATOM 43 H LIG 1 2.788 -0.912 -1.090 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 2.872 1.949 0.269 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 3.148 0.841 -3.031 0.00 0.00 +0.019 C ATOM 46 C LIG 1 3.655 1.322 -1.884 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 4.862 2.224 -1.825 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 6.140 1.484 -1.778 0.00 0.00 -0.294 NA ATOM 49 C LIG 1 7.257 2.386 -2.147 0.00 0.00 +0.113 C ATOM 50 C LIG 1 8.606 1.909 -1.587 0.00 0.00 +0.175 C ATOM 51 O LIG 1 8.636 1.892 -0.151 0.00 0.00 -0.377 OA ATOM 52 C LIG 1 7.340 1.698 0.435 0.00 0.00 +0.175 C ATOM 53 C LIG 1 6.403 0.868 -0.455 0.00 0.00 +0.113 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11