REMARK  Name = BDB014831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.120   0.613  -0.062  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.561   1.519  -0.155  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.979   1.163  -0.635  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -6.510   1.490  -0.567  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.643   0.468  -0.198  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -4.226   0.854  -0.052  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.350  -0.345  -0.010  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.934  -0.470  -0.006  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.582  -1.760   0.062  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.737  -2.446   0.078  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.695  -3.886   0.123  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.827  -1.637   0.060  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.259  -2.011   0.080  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -6.086  -0.770   0.482  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -6.114   2.624  -0.840  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.288   0.733  -0.047  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.856   2.012  -0.161  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.245   2.200  -0.151  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.111   1.110  -0.029  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        2.553  -0.168   0.088  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.162  -0.349   0.079  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.549   1.312  -0.016  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.490   0.389  -0.426  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1        6.704   0.986  -0.256  0.00  0.00    -0.268 N 
ATOM     25  N   LIG    1        6.637   2.239   0.213  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.325   2.436   0.366  0.00  0.00    +0.142 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.988   0.342  -0.602  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        9.162   0.340   0.350  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        8.448  -0.943   0.046  0.00  0.00    +0.029 C 
ENDBRANCH  24  27
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 4