REMARK  Name = BDB048745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.613  -0.904   0.407  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        0.606  -1.631   0.442  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        0.401  -2.956   0.523  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1       -0.937  -3.067   0.548  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -1.344  -3.996   0.607  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1       -1.589  -1.870   0.502  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.060  -1.060   0.391  0.00  0.00    +0.160 A 
ATOM      8  N   LIG    1        3.163  -1.874   0.425  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        3.118  -2.881   0.482  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.280  -1.087   0.365  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        3.780   0.207   0.296  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        4.679   1.280   0.221  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        6.058   1.012   0.218  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        6.537  -0.300   0.289  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1        5.646  -1.381   0.364  0.00  0.00    +0.073 A 
ATOM     16  N   LIG    1        2.407   0.210   0.314  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  O   LIG    1        7.857  -0.669   0.293  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        8.819   0.375   0.213  0.00  0.00    +0.277 C 
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  C   LIG    1       -1.823   1.220  -0.160  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -0.797   0.510   0.343  0.00  0.00    +0.012 C 
BRANCH  19  23
ATOM     21  C   LIG    1       -5.424   0.584  -1.030  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -4.287   1.053  -0.364  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -3.018   0.714  -0.839  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1       -2.945  -0.070  -1.989  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1       -4.026  -0.544  -2.655  0.00  0.00    -0.262 NA
ATOM     26  C   LIG    1       -5.241  -0.205  -2.159  0.00  0.00    +0.125 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -6.807   0.879  -0.599  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1       -7.796   0.444  -1.166  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1       -8.109   2.019   0.971  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1       -6.804   1.685   0.492  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH  21  27
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6