REMARK  Name = BDB053461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.186  -0.501   0.184  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        1.120   0.015  -0.215  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1        2.270  -0.583   0.238  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        3.317   0.126  -0.307  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.713   1.118  -1.062  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        2.175  -1.679   1.074  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.952  -2.117   1.413  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        1.343   1.046  -1.002  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1       -0.228  -1.544   0.980  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        4.844  -0.086  -0.151  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        5.808   0.694  -0.750  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        7.010   0.177  -0.360  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1        8.322   0.652  -0.727  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.894  -0.887   0.453  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        5.573  -1.045   0.578  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1       -1.313   0.141  -0.302  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1       -1.062   0.925  -0.901  0.00  0.00    +0.154 HD
BRANCH  16  21
ATOM     18  C   LIG    1       -4.957   0.098  -0.256  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1       -4.915  -0.960   0.552  0.00  0.00    -0.213 NA
ATOM     20  S   LIG    1       -3.334  -1.352   0.845  0.00  0.00    +0.027 S 
ATOM     21  C   LIG    1       -2.636  -0.105  -0.109  0.00  0.00    +0.091 A 
ATOM     22  C   LIG    1       -3.682   0.617  -0.656  0.00  0.00    +0.056 A 
BRANCH  18  24
ATOM     23  C   LIG    1       -7.100   1.167   0.520  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -6.294   0.656  -0.676  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -7.108  -0.360  -1.482  0.00  0.00    +0.014 C 
ENDBRANCH  18  24
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 4