REMARK  Name = BDB021875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.584  -0.601  -0.577  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.918  -0.374  -0.195  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        2.079   0.482   0.866  0.00  0.00    -0.248 N 
ATOM      4  H   LIG    1        1.364   1.140   1.109  0.00  0.00    +0.158 HD
ATOM      5  O   LIG    1        2.849  -0.918  -0.786  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.293   0.681   1.466  0.00  0.00    +0.167 A 
ATOM      7  S   LIG    1        3.308   1.960   2.587  0.00  0.00    -0.052 S 
ATOM      8  C   LIG    1        4.970   1.633   2.921  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        5.395   0.549   2.142  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        6.744   0.118   2.270  0.00  0.00    +0.146 A 
ATOM     11  C   LIG    1        7.593   0.780   3.171  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        7.141   1.854   3.930  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.825   2.299   3.817  0.00  0.00    +0.017 A 
ATOM     14  N   LIG    1        4.406   0.019   1.322  0.00  0.00    -0.221 NA
BRANCH  10  15
ATOM     15  O   LIG    1        7.361  -0.933   1.596  0.00  0.00    -0.493 OA
ATOM     16  C   LIG    1        6.580  -1.566   0.586  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1       -3.343   1.109   0.208  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1       -3.004  -0.182   0.829  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -1.855  -0.905   0.123  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.603  -0.016   0.097  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -0.940   1.362  -0.492  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1       -2.153   1.976   0.212  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -4.010   1.007  -1.115  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -5.209   0.038  -1.101  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.493   2.379  -1.663  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.870   4.468  -1.344  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.430   3.148  -0.725  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1        0.387  -1.380  -1.811  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.065  -2.842  -1.579  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.006  -3.445  -2.259  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.303  -4.796  -2.069  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.526  -5.567  -1.210  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        0.554  -4.991  -0.546  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.851  -3.639  -0.734  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8