REMARK  Name = BDB004031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.362   0.309   2.596  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -1.577   0.168   1.221  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1       -0.563   0.076   0.336  0.00  0.00    -0.197 NA
ATOM      4  C   LIG    1        0.695   0.153   0.794  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        0.999   0.327   2.085  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.032   0.425   2.946  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.387   0.548   3.523  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1       -3.313   0.266   3.215  0.00  0.00    +0.142 HD
ATOM      9  H   LIG    1       -2.181   0.275   4.478  0.00  0.00    +0.142 HD
ENDBRANCH   1   7
BRANCH   2  10
ATOM     10  N   LIG    1       -2.925   0.100   0.769  0.00  0.00    -0.297 N 
ATOM     11  H   LIG    1       -3.418  -0.598   1.331  0.00  0.00    +0.154 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -3.412   0.114  -0.564  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.605  -0.562  -0.918  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -5.102  -0.485  -2.232  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.439   0.274  -3.195  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.284   0.967  -2.852  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.784   0.895  -1.549  0.00  0.00    +0.024 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -5.328  -1.370   0.101  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -4.969  -1.538   1.256  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -6.460  -1.931  -0.361  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -6.823  -2.424   0.404  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   2  10
BRANCH   4  22
ATOM     22  N   LIG    1        1.676   0.025  -0.186  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        1.220  -0.110  -1.077  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.071   0.103  -0.184  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.757  -0.162  -1.382  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        5.154  -0.124  -1.447  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        5.893   0.167  -0.300  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        5.232   0.451   0.897  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        3.833   0.408   0.949  0.00  0.00    +0.024 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.369   0.195  -0.396  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        7.968   0.644  -1.357  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.977  -0.375   0.667  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        7.373  -0.842   1.274  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 9