REMARK  Name = BDB013072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.618  -0.026  -0.035  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.727   1.082  -0.086  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.619   0.809  -0.102  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.236   2.019  -0.221  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.338   2.978  -0.221  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.136  -0.488  -0.048  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.320  -1.507  -0.033  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.903   2.387  -0.135  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.037  -1.248  -0.034  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.156  -1.404   1.681  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -5.304  -0.566   0.778  0.00  0.00    -0.006 A 
ATOM     12  C   LIG    1       -5.824   0.392  -0.090  0.00  0.00    +0.179 A 
ATOM     13  N   LIG    1       -5.084   1.187  -0.906  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1       -3.742   1.018  -0.850  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -3.095   0.088  -0.036  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.908  -0.698   0.797  0.00  0.00    +0.017 A 
BRANCH  12  17
ATOM     17  S   LIG    1       -7.580   0.694  -0.209  0.00  0.00    +0.011 S 
ATOM     18  O   LIG    1       -8.039   1.106   1.107  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1       -8.169  -0.456  -0.874  0.00  0.00    -0.168 OA
ATOM     20  C   LIG    1       -7.751   2.088  -1.291  0.00  0.00    +0.202 C 
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  N   LIG    1        2.495  -0.707  -0.038  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.647  -1.700  -0.226  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.264  -0.362   1.155  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.673  -0.865   1.003  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        5.600  -0.229   0.182  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.478   1.013  -0.618  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        6.753   0.897  -1.455  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        7.692   0.042  -0.765  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.898  -0.708   0.063  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.334  -1.828   0.739  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        6.418  -2.495   1.551  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.100  -2.022   1.679  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5