REMARK  Name = BDB039190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.263   0.284  -0.856  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.140  -0.407  -0.438  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.842   0.183  -0.746  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.670  -0.470  -0.058  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.829  -1.600   0.776  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.725  -2.173   1.421  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.432  -1.674   1.239  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.277  -0.571   0.393  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.815   0.167  -0.025  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1       -0.349   1.189  -0.837  0.00  0.00    +0.118 A 
ATOM     11  N   LIG    1        0.955   1.090  -1.002  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        4.209  -2.154   1.024  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.363   0.028  -0.241  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.161  -1.830  -0.124  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.236   1.414  -1.330  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        8.593   0.260  -1.094  0.00  0.00    +0.282 C 
ATOM     17  O   LIG    1        7.412  -0.428  -0.683  0.00  0.00    -0.454 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  C   LIG    1       -2.218  -0.087   0.316  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -2.490   0.179   1.800  0.00  0.00    +0.031 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.680  -1.483  -0.153  0.00  0.00    +0.060 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.182  -1.586  -0.291  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1       -4.821  -1.108  -1.444  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.209  -1.184  -1.566  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.970  -1.736  -0.538  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.345  -2.216   0.611  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.957  -2.142   0.735  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
BRANCH  10  27
ATOM     27  C   LIG    1       -1.193   2.254  -1.473  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.782   3.210  -0.501  0.00  0.00    +0.148 A 
ATOM     29  O   LIG    1       -0.913   3.873   0.320  0.00  0.00    -0.356 OA
ATOM     30  N   LIG    1       -1.632   4.718   1.163  0.00  0.00    -0.040 NA
ATOM     31  C   LIG    1       -2.896   4.537   0.803  0.00  0.00    +0.252 A 
ATOM     32  C   LIG    1       -3.070   3.617  -0.228  0.00  0.00    +0.114 A 
BRANCH  31  33
ATOM     33  O   LIG    1       -3.813   5.243   1.462  0.00  0.00    -0.490 OA
ATOM     34  H   LIG    1       -3.317   5.783   2.103  0.00  0.00    +0.294 HD
ENDBRANCH  31  33
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 7