REMARK Name = BDB025961 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.636 -0.679 -0.715 0.00 0.00 +0.016 A ATOM 2 C LIG 1 0.829 0.015 -1.613 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.357 0.568 -2.716 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.534 0.198 -1.378 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.160 -0.305 -0.226 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.365 -1.120 0.623 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.024 -1.239 0.410 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.474 0.047 0.105 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.627 0.817 1.362 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.556 2.352 1.115 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.693 3.045 2.480 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.593 2.807 0.137 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.503 4.253 -0.101 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.447 2.039 -1.139 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.576 2.350 -2.136 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.434 0.493 -0.926 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.369 0.318 0.486 0.00 0.00 +0.403 C ATOM 18 N LIG 1 5.408 -0.369 -0.238 0.00 0.00 -0.263 N ATOM 19 C LIG 1 4.000 -0.311 0.146 0.00 0.00 +0.146 C ATOM 20 C LIG 1 3.087 -0.845 -0.935 0.00 0.00 -0.024 C ATOM 21 C LIG 1 3.530 -1.440 -2.058 0.00 0.00 -0.020 C ATOM 22 C LIG 1 4.992 -1.636 -2.323 0.00 0.00 +0.046 C ATOM 23 C LIG 1 5.833 -1.498 -1.055 0.00 0.00 +0.115 C ATOM 24 O LIG 1 7.576 0.159 0.347 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 5.821 1.190 1.378 0.00 0.00 -0.451 OA BRANCH 25 27 ATOM 26 C LIG 1 7.165 3.204 1.417 0.00 0.00 +0.048 C ATOM 27 C LIG 1 6.749 1.951 2.165 0.00 0.00 +0.230 C ENDBRANCH 25 27 ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -0.854 -1.865 1.718 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -0.200 -2.052 2.469 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.050 -2.479 1.952 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -2.299 -2.872 3.094 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.010 -2.778 0.854 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.704 -3.576 -0.333 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.673 -3.788 -1.248 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.040 -3.250 -1.050 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.907 -3.393 -1.902 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -5.258 -2.615 0.144 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -6.200 -2.275 0.302 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -4.277 -2.385 1.076 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.371 -4.239 -0.477 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -0.466 -3.446 -1.100 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.453 -5.370 -1.233 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.825 -4.624 0.704 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7