REMARK  Name = BDB013077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.597  -0.084   0.121  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.012   1.000  -0.569  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.366   1.164  -0.407  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.689   2.270  -1.139  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.616   2.740  -1.734  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.159   0.317   0.380  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.592  -0.677   1.010  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.445   1.939  -1.373  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.231  -0.856   0.858  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.781  -1.040  -0.111  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.028  -0.862  -1.271  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.669  -0.545  -1.194  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.036  -0.423   0.049  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.800  -0.611   1.212  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.163  -0.922   1.133  0.00  0.00    +0.046 A 
BRANCH  10  16
ATOM     16  O   LIG    1        6.097  -1.343  -0.318  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1        6.991  -1.058   0.752  0.00  0.00    +0.251 C 
BRANCH  17  18
ATOM     18  C   LIG    1        8.419  -1.155   0.255  0.00  0.00    +0.206 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.001   1.536  -0.598  0.00  0.00    +0.194 C 
ATOM     20  S   LIG    1        8.841   0.025  -1.017  0.00  0.00    -0.031 S 
ATOM     21  O   LIG    1       10.263   0.287  -0.884  0.00  0.00    -0.175 OA
ATOM     22  O   LIG    1        8.306  -0.440  -2.282  0.00  0.00    -0.175 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -3.512   0.556   0.468  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.963   1.130  -0.234  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.404  -0.377   1.130  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.818   0.127   1.009  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -6.645  -0.232  -0.051  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.380  -1.098  -1.226  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.808  -1.246  -1.752  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.600  -0.133  -1.282  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.922   0.300  -0.172  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.432   1.204   0.736  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -7.624   1.575   1.810  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -6.329   1.046   1.944  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 8