REMARK  Name = BDB015397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.879  -1.511  -0.556  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.573  -2.013  -0.708  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.491  -3.307  -0.713  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -1.877  -3.821  -0.622  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -2.772  -2.642  -0.249  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.484  -1.153  -0.774  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        0.600  -0.012   0.147  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        1.959  -0.010   0.881  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.153   0.044  -0.001  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.841  -0.577  -1.316  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.775  -1.688  -1.242  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.575   1.450  -0.199  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        4.941   1.520  -0.938  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.646   1.433   0.428  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        4.338   1.942   1.064  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -3.605  -0.678  -2.265  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -2.558  -0.210  -1.382  0.00  0.00    +0.079 S 
ATOM     18  O   LIG    1       -1.522   0.659  -1.902  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -3.335   0.701  -0.091  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1       -4.506   0.286   0.565  0.00  0.00    +0.161 A 
ATOM     21  C   LIG    1       -5.119   1.103   1.611  0.00  0.00    +0.136 A 
ATOM     22  N   LIG    1       -6.205   0.469   2.064  0.00  0.00    -0.049 NA
ATOM     23  O   LIG    1       -6.293  -0.699   1.332  0.00  0.00    -0.242 OA
ATOM     24  C   LIG    1       -4.588   2.341   2.020  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -3.424   2.738   1.341  0.00  0.00    +0.004 A 
ATOM     26  N   LIG    1       -5.254  -0.817   0.430  0.00  0.00    -0.047 NA
ATOM     27  C   LIG    1       -2.822   1.954   0.325  0.00  0.00    +0.031 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4