REMARK  Name = BDB006938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.078   0.789  -0.453  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.598  -0.486  -0.641  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.931  -0.872  -0.391  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.106  -2.220  -0.676  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.350  -2.778  -0.493  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.405  -2.065  -0.047  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1        4.214  -0.745   0.231  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        0.835  -2.871  -1.144  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.361  -3.936  -0.148  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.987  -3.475  -2.542  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.987  -0.108   0.072  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -0.133  -1.659  -1.160  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.745   1.747  -0.051  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        5.395  -0.047   0.710  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        5.484   1.282   1.077  0.00  0.00    +0.118 A 
ATOM     16  N   LIG    1        6.778   1.490   1.458  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        7.356   2.726   1.926  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        7.548   0.393   1.369  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        6.705  -0.540   0.914  0.00  0.00    +0.144 A 
ENDBRANCH   7  14
BRANCH   1  20
ATOM     20  C   LIG    1       -1.419   0.982  -0.776  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.609   1.688   0.115  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1       -2.197   1.346   0.432  0.00  0.00    -0.286 NA
ATOM     23  C   LIG    1       -2.216   0.263   1.445  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.280  -0.866   1.246  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -4.324  -0.861   2.368  0.00  0.00    +0.025 C 
ATOM     26  N   LIG    1       -3.933  -0.852  -0.074  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -4.705  -1.517  -0.099  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.433   0.487  -0.445  0.00  0.00    +0.102 C 
BRANCH  21  29
ATOM     29  C   LIG    1       -3.780   2.941  -0.770  0.00  0.00    +0.179 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -5.367   4.482  -1.589  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -5.168   3.291  -0.839  0.00  0.00    -0.381 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5