REMARK Name = BDB009904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.394 -1.415 -0.774 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.308 -0.781 -0.187 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.824 -1.156 -0.882 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.335 -1.925 -1.925 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -1.090 -2.449 -2.900 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.382 -2.130 -2.776 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.952 -1.396 -1.790 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.191 -0.906 -0.793 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.014 -2.090 -1.840 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.446 -1.074 0.539 0.00 0.00 +0.120 A ATOM 11 C LIG 1 5.032 -0.487 -0.659 0.00 0.00 +0.046 A ATOM 12 C LIG 1 3.710 -0.611 -1.094 0.00 0.00 +0.015 A ATOM 13 C LIG 1 2.778 -1.309 -0.321 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.197 -1.913 0.870 0.00 0.00 +0.015 A ATOM 15 C LIG 1 4.524 -1.792 1.301 0.00 0.00 +0.046 A BRANCH 10 17 ATOM 16 C LIG 1 7.262 -1.536 2.002 0.00 0.00 +0.277 C ATOM 17 O LIG 1 6.762 -0.873 0.848 0.00 0.00 -0.495 OA ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 18 ATOM 18 C LIG 1 -3.297 -2.663 -3.847 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -2.984 -3.336 -4.816 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -4.597 -2.331 -3.658 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -5.051 -2.739 -4.423 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.767 -0.188 0.250 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.425 -0.514 1.146 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.227 -0.048 0.261 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.554 1.241 1.018 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.837 -1.299 0.853 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.637 -1.690 2.300 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.007 -1.306 1.811 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 29 ATOM 29 C LIG 1 0.390 0.169 0.913 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 0.766 1.555 0.446 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.154 2.355 -0.247 0.00 0.00 +0.006 A ATOM 32 C LIG 1 0.202 3.633 -0.684 0.00 0.00 +0.013 A ATOM 33 C LIG 1 1.482 4.145 -0.429 0.00 0.00 +0.055 A ATOM 34 C LIG 1 2.403 3.345 0.260 0.00 0.00 +0.013 A ATOM 35 C LIG 1 2.047 2.067 0.699 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 1.875 5.516 -0.922 0.00 0.00 +0.417 C ATOM 37 F LIG 1 2.780 6.134 -0.112 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.442 5.481 -2.159 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.820 6.373 -1.018 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10