REMARK  Name = BDB014896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.989   3.752  -0.258  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.494   3.582  -0.350  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.962   2.361   0.043  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.491   2.268   0.021  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.044   0.853   0.113  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.749   0.281   0.004  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.813  -1.043   0.180  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.116  -1.325   0.371  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.892  -0.206   0.360  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.359  -0.080   0.537  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.693   1.387   0.884  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.792   4.503  -0.771  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.486  -2.715   0.574  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.624  -3.187  -0.321  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.752  -3.415   0.539  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.214  -3.820   1.801  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.953  -3.007   1.993  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.351   1.041  -0.229  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.197   2.030  -0.362  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.714   0.704  -0.425  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        2.691   1.726  -0.511  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        2.330   3.186  -0.421  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1        4.051   1.391  -0.688  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.473   0.059  -0.765  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1        3.510  -0.945  -0.665  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.157  -0.624  -0.494  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.879  -0.256  -0.951  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.507  -1.401  -0.502  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.817  -1.291  -0.869  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.872  -2.242  -0.619  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        8.097  -0.151  -1.525  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.918   0.476  -1.573  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4