REMARK Name = BDB024371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.484 -0.801 1.534 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.635 -2.277 1.188 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.605 -3.241 2.208 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.748 -4.598 1.910 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.942 -5.023 0.588 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -1.979 -4.061 -0.432 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.837 -2.704 -0.134 0.00 0.00 +0.006 A BRANCH 5 8 ATOM 8 C LIG 1 -2.077 -6.491 0.265 0.00 0.00 +0.417 C ATOM 9 F LIG 1 -0.873 -7.082 0.034 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -2.658 -7.207 1.268 0.00 0.00 -0.166 F ATOM 11 F LIG 1 -2.831 -6.730 -0.845 0.00 0.00 -0.166 F ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 12 N LIG 1 0.852 -0.365 0.956 0.00 0.00 -0.269 N ATOM 13 H LIG 1 1.040 -1.005 1.717 0.00 0.00 +0.156 HD ATOM 14 C LIG 1 -0.453 -0.107 0.594 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -0.808 0.587 -0.358 0.00 0.00 -0.273 OA BRANCH 12 19 ATOM 16 C LIG 1 4.490 0.855 -0.651 0.00 0.00 +0.003 A ATOM 17 C LIG 1 4.335 -0.001 0.434 0.00 0.00 +0.121 A ATOM 18 N LIG 1 3.139 -0.389 0.948 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 2.025 0.089 0.357 0.00 0.00 +0.125 A ATOM 20 C LIG 1 2.071 0.947 -0.730 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.317 1.331 -1.237 0.00 0.00 +0.013 A BRANCH 16 26 ATOM 22 C LIG 1 9.350 1.827 -0.999 0.00 0.00 +0.172 C ATOM 23 N LIG 1 7.947 1.663 -1.294 0.00 0.00 -0.274 N ATOM 24 N LIG 1 7.490 1.963 -2.521 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.183 1.705 -2.440 0.00 0.00 +0.143 A ATOM 26 C LIG 1 5.793 1.235 -1.163 0.00 0.00 +0.021 A ATOM 27 C LIG 1 6.972 1.224 -0.444 0.00 0.00 +0.116 A ENDBRANCH 16 26 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 1 28 ATOM 28 N LIG 1 -2.804 -0.136 1.464 0.00 0.00 -0.302 NA ATOM 29 H LIG 1 -3.007 0.018 0.471 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.807 1.167 2.140 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -4.172 1.864 2.019 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -4.532 2.254 0.603 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -5.483 1.516 -0.115 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.803 1.861 -1.430 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.174 2.950 -2.042 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -4.224 3.690 -1.332 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -3.905 3.344 -0.017 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.500 3.304 -3.392 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -5.766 3.593 -4.484 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 10