REMARK  Name = BDB014414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.163   0.719  -0.548  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        3.563   0.338  -1.222  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        2.411   1.073  -1.212  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        2.566   2.066  -1.357  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        4.616   0.864  -1.588  0.00  0.00    -0.272 OA
BRANCH   2   6
ATOM      6  C   LIG    1        3.503  -1.140  -0.826  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.041  -1.408   0.488  0.00  0.00    -0.483 OA
BRANCH   7  10
ATOM      8  C   LIG    1        5.900  -0.401   2.641  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        5.172  -0.643   1.466  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1        3.866  -1.128   1.541  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        3.297  -1.371   2.795  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.016  -1.132   3.966  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.319  -0.646   3.890  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        8.335   0.485   2.519  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        7.244   0.093   2.565  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   7  10
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        0.022   1.646  -0.995  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.407   3.004  -0.721  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.290   3.581  -1.080  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.298   1.330  -0.256  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.826  -0.026  -0.477  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.934  -0.330   0.452  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.316  -0.128  -0.123  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.556  -0.595  -1.427  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.836  -0.521  -1.978  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.876   0.034  -1.232  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.641   0.505   0.061  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.377  -1.166  -2.166  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.365   0.418   0.620  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.156  -0.267  -1.901  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 9