REMARK  Name = BDB012091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.941   0.727   0.141  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1       -0.974   0.986  -0.803  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.186   1.418  -2.164  0.00  0.00    +0.174 C 
ATOM      4  N   LIG    1        0.285   0.834  -0.351  0.00  0.00    -0.165 NA
ATOM      5  C   LIG    1        0.127   0.473   0.939  0.00  0.00    +0.152 A 
ATOM      6  C   LIG    1       -1.257   0.378   1.291  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -1.799  -0.028   2.612  0.00  0.00    +0.050 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        1.300   0.233   1.802  0.00  0.00    +0.265 C 
ATOM      9  N   LIG    1        2.496   0.353   1.129  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.407   0.747   0.195  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.220  -0.035   2.997  0.00  0.00    -0.268 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.757   0.420   1.822  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.849  -0.029   0.901  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        5.668   1.063   0.281  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        5.444   2.252   0.486  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1        6.695   0.669  -0.539  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        7.233   1.423  -0.949  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        7.010  -0.637  -0.823  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        8.163  -0.877  -1.746  0.00  0.00    +0.063 C 
ATOM     20  C   LIG    1        6.281  -1.616  -0.268  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.171  -1.313   0.624  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1        4.448  -2.516   1.166  0.00  0.00    +0.044 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   8
BRANCH   1  23
ATOM     23  N   LIG    1       -3.273   0.846  -0.155  0.00  0.00    -0.312 N 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.919  -0.324  -0.795  0.00  0.00    +0.079 C 
ATOM     25  C   LIG    1       -4.527  -1.295   0.225  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1       -5.711  -2.052  -0.367  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1       -5.496  -2.295  -1.752  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -5.542  -1.103  -2.538  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1       -4.954   0.115  -1.830  0.00  0.00    +0.050 C 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     30  C   LIG    1       -3.929   3.181   0.209  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -4.090   1.742   0.678  0.00  0.00    +0.103 C 
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 6