REMARK  Name = BDB056224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.469  -1.249   0.269  0.00  0.00    +0.230 C 
ATOM      2  N   LIG    1       -1.492  -1.842   1.008  0.00  0.00    -0.293 N 
ATOM      3  O   LIG    1       -0.733  -0.693  -0.803  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.956  -1.303   0.864  0.00  0.00    +0.180 C 
BRANCH   4   8
ATOM      5  C   LIG    1        4.037   0.356  -1.544  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1        4.443  -0.341  -0.239  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        3.316  -1.233   0.296  0.00  0.00    +0.085 C 
ATOM      8  N   LIG    1        1.971  -0.751  -0.055  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        1.937   0.712  -0.118  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        2.756   1.181  -1.326  0.00  0.00    +0.027 C 
BRANCH   5  12
ATOM     11  O   LIG    1        6.083   1.611  -1.325  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1        5.165   1.246  -2.059  0.00  0.00    +0.166 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.159   1.710  -3.484  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        6.149   2.624  -3.884  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        6.196   3.093  -5.199  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.254   2.647  -6.116  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        5.296   3.095  -7.378  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        4.268   1.742  -5.743  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.219   1.270  -4.427  0.00  0.00    +0.014 A 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   2  20
ATOM     20  C   LIG    1       -1.348  -2.383   2.356  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.167  -3.870   2.302  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -1.288  -4.684   3.566  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.335  -4.804   2.495  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH   2  20
BRANCH   2  24
ATOM     24  C   LIG    1       -2.836  -1.867   0.423  0.00  0.00    +0.182 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.539  -0.548   0.711  0.00  0.00    +0.127 A 
ATOM     26  N   LIG    1       -3.095   0.529  -0.010  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1       -2.290   0.422  -0.625  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -3.563   1.792   0.199  0.00  0.00    +0.257 A 
ATOM     29  O   LIG    1       -3.084   2.781  -0.340  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -4.682   1.883   1.153  0.00  0.00    +0.064 A 
ATOM     31  C   LIG    1       -5.322   3.216   1.362  0.00  0.00    +0.202 C 
ATOM     32  O   LIG    1       -6.558   3.116   2.090  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1       -6.435   2.269   3.233  0.00  0.00    +0.166 C 
ATOM     34  C   LIG    1       -6.178   0.828   2.793  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1       -5.059   0.760   1.786  0.00  0.00    +0.056 A 
ATOM     36  N   LIG    1       -4.480  -0.473   1.598  0.00  0.00    -0.237 NA
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8