REMARK  Name = BDB007778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.250   0.964  -0.287  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.310   1.282  -1.501  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.286   1.417  -2.309  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.379   0.668   0.719  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.985   3.321  -1.116  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -2.523   2.001  -0.665  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1       -1.729   0.926  -0.264  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.316  -0.255   0.199  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.698  -0.370   0.221  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1       -4.474   0.630  -0.219  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -3.890   1.779  -0.634  0.00  0.00    +0.117 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -4.247  -1.576   0.643  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1       -3.792  -1.870   1.503  0.00  0.00    +0.148 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.701  -1.803   0.709  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1       -6.410  -0.966   1.776  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -7.279   0.149   1.219  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -8.076  -0.326   0.138  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -7.260  -0.665  -0.980  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -6.377  -1.861  -0.664  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.751   1.380  -1.711  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.385   0.069  -2.214  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.502  -0.556  -3.161  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        0.678  -0.734  -2.672  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.732  -0.931  -1.090  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.773  -0.446  -0.168  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.119  -0.568  -0.760  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.244  -0.246   0.203  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.035  -0.274   1.593  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.098  -0.001   2.464  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.368   0.273   1.960  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.585   0.281   0.584  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.654  -0.534   2.139  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.529   0.021  -0.290  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        3.725  -1.183   1.105  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8