REMARK  Name = BDB014613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.171  -0.244  -0.704  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1        0.619   0.989  -0.440  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1        0.634   1.711  -1.155  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.150  -1.170   0.099  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.765  -0.358  -2.094  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.767  -1.505  -2.187  0.00  0.00    +0.083 C 
BRANCH   6  14
ATOM      7  C   LIG    1        9.321   0.600   0.515  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        7.928   0.045   0.453  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1        7.250   0.026  -0.779  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        5.956  -0.511  -0.838  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1        5.373  -1.008   0.321  0.00  0.00    +0.066 A 
ATOM     12  N   LIG    1        4.138  -1.444  -0.084  0.00  0.00    -0.342 N 
ATOM     13  H   LIG    1        3.416  -1.841   0.505  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1        4.014  -1.194  -1.430  0.00  0.00    +0.109 A 
ATOM     15  C   LIG    1        6.009  -0.998   1.562  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        5.102  -0.629  -1.909  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1        7.303  -0.461   1.602  0.00  0.00    +0.005 A 
ENDBRANCH   6  14
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.011   1.281   0.835  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.437   0.708   0.958  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.778   0.641   2.350  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.241  -0.077   2.736  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.441   1.619   0.214  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.795   1.116  -0.047  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.553   0.819   1.179  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.962   0.340   0.894  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.287  -0.232  -0.350  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.587  -0.699  -0.583  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.552  -0.619   0.422  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.222  -0.079   1.665  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.260  -0.269  -1.454  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.934   0.397   1.901  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.827  -0.042  -0.945  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8