REMARK  Name = BDB055866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.545  -0.845   2.015  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.602  -1.758   1.527  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.906  -2.579   2.417  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.155  -2.539   3.785  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.098  -1.638   4.271  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.790  -0.796   3.391  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.116   0.977   1.300  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -3.208  -0.040   1.065  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -2.905  -0.152   0.106  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.430   1.412   2.401  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -5.672   4.068  -2.389  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.341   2.894  -1.547  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -5.561   1.655  -1.999  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -5.205   0.862  -0.970  0.00  0.00    -0.262 N 
ATOM     15  C   LIG    1       -5.476  -0.554  -1.063  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -4.651   1.544   0.083  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.793   2.879  -0.247  0.00  0.00    +0.057 A 
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  O   LIG    1        0.006  -3.539   1.950  0.00  0.00    -0.437 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.154  -3.079   1.323  0.00  0.00    +0.238 A 
ATOM     20  N   LIG    1        1.452  -1.833   1.151  0.00  0.00    -0.127 NA
ATOM     21  N   LIG    1        2.642  -1.679   0.507  0.00  0.00    -0.215 N 
ATOM     22  C   LIG    1        3.491  -2.676   0.048  0.00  0.00    +0.156 A 
ATOM     23  N   LIG    1        4.551  -2.170  -0.547  0.00  0.00    -0.211 NA
ATOM     24  C   LIG    1        4.387  -0.813  -0.465  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1        3.099  -4.016   0.275  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        3.221  -0.486   0.180  0.00  0.00    +0.158 A 
ATOM     27  C   LIG    1        1.943  -4.261   0.906  0.00  0.00    +0.073 A 
BRANCH  24  28
ATOM     28  N   LIG    1        5.349  -0.006  -1.008  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        6.117  -0.501  -1.438  0.00  0.00    +0.156 HD
ATOM     30  C   LIG    1        5.333   1.364  -1.004  0.00  0.00    +0.221 C 
ATOM     31  O   LIG    1        4.495   2.101  -0.505  0.00  0.00    -0.275 OA
BRANCH  30  32
ATOM     32  C   LIG    1        6.521   1.957  -1.679  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1        6.831   1.645  -3.126  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        6.327   3.007  -2.750  0.00  0.00    +0.013 C 
ENDBRANCH  30  32
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6