REMARK Name = BDB037495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.324 2.764 -1.198 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.609 1.875 -0.651 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.886 0.627 -1.165 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.167 0.296 -0.643 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.540 1.188 0.294 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 -0.031 -0.008 -2.210 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.334 0.725 -2.301 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.490 2.045 0.409 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.167 2.260 -2.216 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.856 3.003 -2.920 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -3.046 -0.814 -1.073 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.917 -1.365 -0.120 0.00 0.00 -0.276 N ATOM 13 C LIG 1 -4.816 -2.455 -0.533 0.00 0.00 +0.205 C ATOM 14 C LIG 1 -4.082 -3.796 -0.366 0.00 0.00 +0.197 C ATOM 15 O LIG 1 -3.397 -3.930 0.903 0.00 0.00 -0.375 OA ATOM 16 C LIG 1 -3.723 -2.901 1.847 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -3.448 -1.500 1.269 0.00 0.00 +0.137 C ATOM 18 O LIG 1 -3.017 -1.213 -2.235 0.00 0.00 -0.268 OA BRANCH 13 19 ATOM 19 C LIG 1 -5.481 -2.339 -1.848 0.00 0.00 +0.087 C ATOM 20 N LIG 1 -6.070 -2.282 -2.848 0.00 0.00 -0.195 NA ENDBRANCH 13 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.072 -1.496 -1.892 0.00 0.00 -0.037 A ATOM 22 C LIG 1 0.323 -1.999 -0.598 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.413 -3.374 -0.369 0.00 0.00 +0.038 A ATOM 24 C LIG 1 0.267 -4.257 -1.429 0.00 0.00 +0.123 A ATOM 25 F LIG 1 0.356 -5.575 -1.208 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.032 -3.792 -2.716 0.00 0.00 +0.038 A ATOM 27 C LIG 1 -0.061 -2.419 -2.947 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -1.352 2.813 1.599 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -2.484 3.068 2.388 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -2.361 3.788 3.577 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -1.111 4.239 3.996 0.00 0.00 +0.000 A ATOM 32 C LIG 1 0.022 3.965 3.231 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -0.093 3.247 2.038 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 2.313 0.371 -1.263 0.00 0.00 -0.299 N ATOM 35 H LIG 1 2.151 0.717 -0.328 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.289 -0.573 -1.492 0.00 0.00 +0.245 C ATOM 37 O LIG 1 3.444 -1.146 -2.562 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 4.145 -0.918 -0.327 0.00 0.00 +0.037 A ATOM 39 C LIG 1 4.500 0.035 0.636 0.00 0.00 +0.025 A ATOM 40 C LIG 1 5.294 -0.328 1.738 0.00 0.00 +0.056 A ATOM 41 C LIG 1 5.745 -1.654 1.844 0.00 0.00 +0.012 A ATOM 42 C LIG 1 5.406 -2.599 0.874 0.00 0.00 +0.001 A ATOM 43 C LIG 1 4.610 -2.232 -0.210 0.00 0.00 +0.013 A BRANCH 40 44 ATOM 44 C LIG 1 5.686 0.704 2.767 0.00 0.00 +0.417 C ATOM 45 F LIG 1 5.929 0.172 3.996 0.00 0.00 -0.166 F ATOM 46 F LIG 1 4.719 1.646 2.956 0.00 0.00 -0.166 F ATOM 47 F LIG 1 6.810 1.386 2.419 0.00 0.00 -0.166 F ENDBRANCH 40 44 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 49 ATOM 48 C LIG 1 -0.799 4.743 -2.192 0.00 0.00 +0.025 C ATOM 49 C LIG 1 0.174 4.225 -1.140 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 8