REMARK  Name = BDB003105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.879  -1.332   0.038  0.00  0.00    +0.162 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        1.131   0.042   0.433  0.00  0.00    -0.311 N 
ATOM      3  H   LIG    1        1.502  -0.805   0.847  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -0.135   0.014  -0.112  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -0.628   0.970  -0.711  0.00  0.00    -0.274 OA
BRANCH   2  10
ATOM      6  C   LIG    1        6.263   1.095  -0.556  0.00  0.00    +0.403 C 
ATOM      7  N   LIG    1        4.923   1.192  -0.220  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1        4.373   0.600   0.995  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1        3.055   1.246   1.402  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        2.012   1.195   0.277  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        2.641   1.197  -1.125  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        4.005   1.871  -1.128  0.00  0.00    +0.113 C 
ATOM     13  O   LIG    1        6.756   1.601  -1.557  0.00  0.00    -0.226 OA
BRANCH   6  14
ATOM     14  O   LIG    1        6.966   0.361   0.349  0.00  0.00    -0.451 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.598  -0.982  -0.833  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        8.367   0.207   0.081  0.00  0.00    +0.230 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1       -2.310  -1.026   0.070  0.00  0.00    -0.304 N 
ATOM     18  H   LIG    1       -2.638  -0.455  -0.701  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -2.961  -0.853   1.274  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -2.458  -1.158   2.351  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.362  -0.260   1.138  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -4.285   1.217   0.727  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -5.670   1.856   0.639  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.459   1.692   1.943  0.00  0.00    -0.014 C 
ATOM     25  C   LIG    1       -7.857   2.291   1.807  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -6.540   0.214   2.346  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.152  -0.415   2.444  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   1  17
BRANCH   1  28
ATOM     28  C   LIG    1       -0.551  -2.343  -1.091  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        0.852  -2.935  -0.910  0.00  0.00    +0.010 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -0.738  -1.751  -2.505  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -0.628  -2.789  -3.615  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 8