REMARK Name = BDB026150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.557 -0.534 -0.293 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.614 0.265 -0.177 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.882 -0.323 -0.117 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.016 -1.716 -0.183 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.864 -2.495 -0.322 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.956 -3.832 -0.395 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.405 -1.919 -0.375 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.846 -0.484 2.888 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.317 -0.833 1.487 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.415 -1.072 0.501 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.291 -2.168 0.934 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.831 -1.347 -0.847 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.913 -1.443 -1.937 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.803 -0.273 -1.316 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.806 0.113 -0.300 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.390 0.330 1.039 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.349 -2.345 -0.126 0.00 0.00 -0.009 A ATOM 18 C LIG 1 4.040 -2.272 1.026 0.00 0.00 +0.079 A ATOM 19 C LIG 1 5.387 -2.892 1.153 0.00 0.00 +0.252 A ATOM 20 O LIG 1 5.980 -2.811 2.226 0.00 0.00 -0.268 OA ATOM 21 N LIG 1 5.875 -3.531 0.016 0.00 0.00 -0.318 N ATOM 22 C LIG 1 7.185 -4.159 0.059 0.00 0.00 +0.152 C ATOM 23 C LIG 1 5.149 -3.596 -1.159 0.00 0.00 +0.089 A ATOM 24 C LIG 1 3.936 -3.039 -1.256 0.00 0.00 +0.026 A ENDBRANCH 4 17 BRANCH 2 25 ATOM 25 N LIG 1 0.398 1.659 -0.165 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -0.585 1.893 -0.292 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 1.327 2.666 -0.092 0.00 0.00 +0.250 C ATOM 28 O LIG 1 2.542 2.565 -0.000 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 0.704 4.018 -0.164 0.00 0.00 +0.065 A ATOM 30 C LIG 1 0.885 4.899 -1.312 0.00 0.00 +0.073 A ATOM 31 C LIG 1 0.291 6.109 -1.313 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -0.524 6.552 -0.155 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -1.069 7.647 -0.143 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -0.625 5.657 0.881 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -1.170 5.969 1.678 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -0.027 4.421 0.888 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 1.704 4.412 -2.469 0.00 0.00 +0.418 C ATOM 38 F LIG 1 3.023 4.330 -2.176 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.603 5.241 -3.543 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.299 3.191 -2.901 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 2 25 TORSDOF 5