REMARK  Name = BDB063996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.722  -3.665   0.454  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.702  -2.485   0.171  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.466  -1.571   0.044  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.718  -1.991   0.264  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.030  -0.322  -0.344  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.265  -0.430  -0.422  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -1.740  -1.666  -0.129  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.694  -1.972  -0.209  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.945  -1.186   0.148  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.993   0.162   0.536  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.211   0.858   0.430  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.375   0.244  -0.036  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.498   1.055  -0.085  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.185   2.258   0.338  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.319  -1.113  -0.406  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.560   2.501   0.816  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.110  -1.814  -0.304  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.076   0.588  -0.815  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.571   1.416  -1.112  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.406   0.854  -0.443  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -4.032   0.273   0.666  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.372   0.545   0.960  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.108   1.397   0.142  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.504   1.981  -0.967  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.165   1.709  -1.256  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3