REMARK  Name = BDB013019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.479  -0.017  -0.439  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.069  -0.451   0.751  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.427  -0.466   0.956  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        2.673  -0.897   2.177  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.467  -1.206   2.769  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.253  -0.044  -0.124  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        2.603   0.348  -1.244  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.521  -0.957   1.892  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.235   0.361  -1.434  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.734   0.017  -0.075  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1        5.524  -0.460  -1.128  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.903  -0.381  -1.016  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        7.542   0.129   0.057  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        6.766   0.564   1.071  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.381   0.529   1.053  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.890  -0.003  -0.586  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.089   0.119  -1.580  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.672   0.993   0.143  0.00  0.00    +0.140 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -4.953   1.881  -1.618  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.805   0.862  -1.194  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -5.286  -0.105  -0.360  0.00  0.00    +0.124 A 
ATOM     22  O   LIG    1       -6.011  -1.160   0.131  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -5.004  -2.035   0.687  0.00  0.00    +0.234 C 
ATOM     24  C   LIG    1       -3.751  -1.218   0.999  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -3.967  -0.080   0.073  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.103   0.939  -0.318  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -3.615   1.918  -1.189  0.00  0.00    +0.005 A 
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4