REMARK  Name = BDB014047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -1.135   0.088  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.869  -2.403   0.129  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -2.197  -2.100   0.396  0.00  0.00    +0.164 A 
ATOM      4  N   LIG    1       -3.210  -2.968   0.570  0.00  0.00    -0.216 NA
ATOM      5  C   LIG    1       -2.793  -4.236   0.450  0.00  0.00    +0.225 A 
ATOM      6  N   LIG    1       -1.556  -4.672   0.154  0.00  0.00    -0.220 NA
ATOM      7  N   LIG    1       -2.282  -0.736   0.431  0.00  0.00    -0.242 N 
ATOM      8  C   LIG    1       -0.573  -3.763  -0.029  0.00  0.00    +0.131 A 
ATOM      9  N   LIG    1       -1.104  -0.120   0.200  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.894   1.709  -0.492  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1        3.062   0.596  -0.305  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        3.534  -0.708  -0.174  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.400  -1.555   0.002  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        1.275  -0.766  -0.047  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        4.922  -0.931  -0.221  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.777   0.159  -0.409  0.00  0.00    +0.004 A 
ATOM     17  N   LIG    1        1.692   0.532  -0.200  0.00  0.00    -0.350 N 
ATOM     18  H   LIG    1        1.070   1.327  -0.245  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1        5.271   1.454  -0.543  0.00  0.00    +0.048 A 
BRANCH  10  21
ATOM     20  C   LIG    1        4.148   4.051  -0.782  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.292   2.929  -0.606  0.00  0.00    -0.493 OA
ENDBRANCH  10  21
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1       -3.491   0.051   0.655  0.00  0.00    +0.114 C 
ATOM     23  C   LIG    1       -4.023   0.613  -0.670  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.904   1.821  -0.403  0.00  0.00    +0.162 C 
ATOM     25  O   LIG    1       -4.217   2.885   0.254  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -3.088   2.498   1.039  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1       -3.292   1.150   1.711  0.00  0.00    +0.055 C 
ENDBRANCH   7  22
BRANCH   8  28
ATOM     28  N   LIG    1        0.649  -4.281  -0.443  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1        0.523  -5.255  -0.704  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.093  -3.715  -1.157  0.00  0.00    +0.144 HD
ENDBRANCH   8  28
TORSDOF 4