REMARK  Name = BDB015405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.074  -2.012  -0.165  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -1.247  -2.488  -0.332  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -1.422  -3.733  -0.013  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.092  -4.268   0.349  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        0.824  -3.069   0.550  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -2.229  -1.632  -0.741  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -2.257  -0.214  -0.354  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -3.600   0.167   0.311  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -4.800  -0.100  -0.506  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -4.530  -1.115  -1.547  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -3.544  -2.203  -1.083  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.499   1.040  -1.111  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -6.012   2.041  -0.054  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.617   3.157  -1.051  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -4.596   2.164  -1.660  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1        0.927  -1.291  -1.447  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        0.177  -0.197  -2.025  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.478  -2.346  -2.273  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        4.423   0.706   0.805  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        4.640  -0.379  -0.061  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.588  -0.991  -0.755  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.287  -0.529  -0.578  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        2.034   0.547   0.270  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.095   1.152   0.956  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  C   LIG    1        7.870   1.993   1.919  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        6.832   1.286   1.075  0.00  0.00    +0.216 C 
ATOM     27  N   LIG    1        5.503   1.335   1.534  0.00  0.00    -0.275 N 
ATOM     28  C   LIG    1        5.137   2.139   2.703  0.00  0.00    +0.138 C 
ATOM     29  O   LIG    1        7.212   0.737   0.040  0.00  0.00    -0.276 OA
ENDBRANCH  19  27
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 5