REMARK  Name = BDB063131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.936  -0.919  -0.035  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1       -1.304  -1.642   0.562  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.198  -1.209  -0.220  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        2.386  -2.070   0.496  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1        1.035  -1.956   0.556  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        0.440  -0.965  -0.149  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        1.193  -0.085  -0.921  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        2.584  -0.209  -0.965  0.00  0.00    +0.018 A 
BRANCH   3  10
ATOM      9  O   LIG    1        5.059  -2.574  -0.403  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.655  -1.428  -0.220  0.00  0.00    +0.248 C 
ATOM     11  N   LIG    1        5.507  -0.348  -0.018  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        5.109   0.944   0.559  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        6.226   1.559   1.421  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        7.499   1.758   0.709  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        8.261   1.743   1.387  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        7.731   0.733  -0.325  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        6.948  -0.577  -0.137  0.00  0.00    +0.123 C 
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.932  -0.102  -0.537  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1       -3.181  -0.426  -0.166  0.00  0.00    -0.214 NA
ATOM     20  C   LIG    1       -4.209   0.333  -0.612  0.00  0.00    +0.076 A 
ATOM     21  C   LIG    1       -3.997   1.413  -1.442  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -2.691   1.671  -1.774  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1       -1.654   0.938  -1.336  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  C   LIG    1       -5.553  -0.085  -0.158  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -6.595   0.845   0.034  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.875   0.433   0.463  0.00  0.00    +0.079 A 
ATOM     27  C   LIG    1       -8.101  -0.922   0.706  0.00  0.00    +0.039 A 
ATOM     28  S   LIG    1       -9.733  -1.137   1.214  0.00  0.00    -0.075 S 
ATOM     29  C   LIG    1       -9.989   0.549   1.073  0.00  0.00    +0.157 A 
ATOM     30  C   LIG    1       -7.092  -1.878   0.535  0.00  0.00    +0.018 A 
ATOM     31  N   LIG    1       -8.963   1.266   0.676  0.00  0.00    -0.247 NA
ATOM     32  C   LIG    1       -5.832  -1.437   0.106  0.00  0.00    +0.011 A 
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 4