REMARK  Name = BDB022122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.196   0.857   0.324  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.154   0.533   0.354  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.879  -0.400   1.256  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        1.766   1.273  -0.661  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        0.844   2.031  -1.333  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1       -0.306   1.806  -0.707  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  11
ATOM      7  N   LIG    1       -5.114  -0.118  -0.303  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1       -3.999  -0.135  -1.278  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1       -2.615  -0.514  -0.706  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -2.436  -0.042   0.666  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -1.233   0.382   1.225  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -1.046   0.376   2.440  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.514  -0.396   1.589  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -4.790  -0.915   0.890  0.00  0.00    +0.103 C 
BRANCH   7  16
ATOM     15  C   LIG    1       -7.600  -0.181  -0.088  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -6.378  -0.495  -0.944  0.00  0.00    +0.081 C 
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  17
ATOM     17  C   LIG    1        3.162   1.308  -1.042  0.00  0.00    +0.252 A 
ATOM     18  N   LIG    1        4.044   0.558  -0.346  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1        5.341   0.602  -0.727  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1        5.775   1.384  -1.778  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.811   2.114  -2.425  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        3.513   2.093  -2.084  0.00  0.00    -0.219 NA
BRANCH  19  23
ATOM     23  C   LIG    1        6.229  -0.247   0.087  0.00  0.00    +0.038 A 
ATOM     24  S   LIG    1        7.807  -0.683  -0.447  0.00  0.00    -0.095 S 
ATOM     25  C   LIG    1        8.120  -1.602   0.957  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        7.054  -1.594   1.825  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.969  -0.820   1.323  0.00  0.00    +0.017 A 
ENDBRANCH  19  23
ENDBRANCH   4  17
TORSDOF 4