REMARK  Name = BDB058674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.072  -1.045   2.747  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.818  -0.818   1.476  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        1.145  -0.820   0.134  0.00  0.00    +0.131 C 
ATOM      4  C   LIG    1        2.331  -0.608  -0.773  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.267  -0.543  -1.991  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        3.428  -0.486   0.093  0.00  0.00    -0.160 N 
ATOM      7  N   LIG    1        3.097  -0.610   1.429  0.00  0.00    -0.181 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        4.787  -0.265  -0.247  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        5.758  -0.162   0.764  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        7.106   0.059   0.457  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        7.502   0.192  -0.873  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        6.557   0.071  -1.895  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        5.209  -0.150  -1.579  0.00  0.00    +0.026 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.934   0.425  -1.167  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1        9.837  -0.116  -0.555  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1        9.130   1.332  -2.148  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        8.326   1.808  -2.428  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  C   LIG    1        0.153   0.327  -0.024  0.00  0.00    +0.115 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.274  -0.140   0.208  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1       -2.197   0.803  -0.204  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -1.813   1.666  -0.595  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -1.514  -1.213   0.747  0.00  0.00    -0.275 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.617   0.749  -0.145  0.00  0.00    +0.064 A 
ATOM     24  C   LIG    1       -4.413   1.825  -0.597  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -5.820   1.762  -0.535  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -6.468   0.630  -0.024  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1       -7.971   0.595   0.027  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -5.691  -0.450   0.427  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -6.332  -1.695   0.983  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -4.284  -0.376   0.360  0.00  0.00    +0.029 A 
BRANCH  24  31
ATOM     31  N   LIG    1       -3.818   3.054  -1.151  0.00  0.00    +0.058 N 
ATOM     32  O   LIG    1       -2.581   3.164  -1.138  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1       -4.582   3.919  -1.603  0.00  0.00    -0.126 OA
ENDBRANCH  24  31
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7