REMARK Name = BDB025770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.803 -0.535 -0.647 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.399 0.812 -0.497 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.957 1.139 -0.388 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.949 0.141 -0.433 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.524 -1.188 -0.587 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.424 -2.181 -0.651 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.176 -1.528 -0.690 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.602 -3.883 -1.917 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.475 -2.625 -2.014 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.514 -2.697 -0.956 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.839 -2.395 -1.504 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.220 -1.837 0.221 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.778 -2.503 1.483 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.711 -1.548 0.425 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.183 -0.819 -0.744 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.618 -1.328 -2.063 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.376 0.489 -0.324 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.243 -0.187 0.548 0.00 0.00 +0.057 A ATOM 19 C LIG 1 5.592 0.162 0.638 0.00 0.00 +0.139 A ATOM 20 C LIG 1 6.038 1.200 -0.167 0.00 0.00 +0.156 A ATOM 21 N LIG 1 5.248 1.886 -1.026 0.00 0.00 -0.259 NA ATOM 22 C LIG 1 3.946 1.515 -1.079 0.00 0.00 +0.119 A BRANCH 19 23 ATOM 23 O LIG 1 6.328 -0.569 1.525 0.00 0.00 -0.490 OA BRANCH 23 24 ATOM 24 C LIG 1 7.715 -0.249 1.627 0.00 0.00 +0.232 C BRANCH 24 25 ATOM 25 C LIG 1 8.323 -1.157 2.652 0.00 0.00 +0.027 C ATOM 26 C LIG 1 9.792 -1.493 2.605 0.00 0.00 +0.007 C ATOM 27 C LIG 1 8.770 -2.546 2.276 0.00 0.00 +0.007 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 28 ATOM 28 N LIG 1 -1.448 1.757 -0.468 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.359 1.306 -0.548 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.358 3.123 -0.394 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.339 3.801 -0.361 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.691 3.794 -0.429 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.720 3.641 0.595 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.880 4.317 0.467 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.118 5.204 -0.698 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.176 5.804 -0.831 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.084 5.297 -1.594 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.235 5.920 -2.380 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.896 4.621 -1.467 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.449 2.768 1.779 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.252 3.023 2.358 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.462 1.455 1.431 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.388 2.909 2.751 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 8