REMARK  Name = BDB019418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.414  -0.734   1.625  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        1.341  -1.186   0.883  0.00  0.00    -0.283 N 
ATOM      3  C   LIG    1        1.261  -1.336  -0.579  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        0.211  -2.432  -0.763  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.748  -2.205   0.406  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.182  -1.772   1.542  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        2.410  -0.678   2.849  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        4.825   1.488  -0.204  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        3.711   1.037   0.502  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        3.623  -0.302   0.896  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.661  -1.208   0.627  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1        4.598  -2.637   1.084  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        5.775  -0.742  -0.082  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        5.855   0.594  -0.498  0.00  0.00    +0.046 A 
BRANCH   8  16
ATOM     15  C   LIG    1        5.891   3.320  -1.281  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.786   2.812  -0.544  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1        0.801  -0.054  -1.306  0.00  0.00    +0.234 C 
ATOM     18  N   LIG    1        0.401   0.969  -0.477  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        0.381   0.780   0.519  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        0.736   0.005  -2.532  0.00  0.00    -0.274 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -0.326   2.116  -0.963  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.804   1.892  -0.777  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -2.453   2.322   0.387  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -3.810   2.050   0.584  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -4.540   1.337  -0.376  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -3.890   0.905  -1.539  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -2.535   1.180  -1.738  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.948   1.015  -0.161  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -6.578  -0.218  -0.050  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1       -5.934  -1.558  -0.100  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1       -7.954  -0.159   0.130  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1       -8.341   1.095   0.159  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1       -7.113   2.272  -0.025  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   3  17
BRANCH   5  34
ATOM     34  O   LIG    1       -1.480  -3.382   0.704  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -0.853  -4.091   0.929  0.00  0.00    +0.210 HD
ENDBRANCH   5  34
TORSDOF 7