REMARK  Name = BDB007783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.421  -0.534  -0.001  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.233  -0.750   1.191  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        0.367  -0.894   2.000  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.150  -0.291  -1.059  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.731  -1.402   1.992  0.00  0.00    +0.174 C 
ATOM      6  N   LIG    1        3.800  -0.954   0.984  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1        4.065  -0.614  -0.322  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1        2.835  -0.463  -0.916  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1        1.883  -0.634   0.118  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        2.483  -0.920   1.293  0.00  0.00    -0.165 NA
BRANCH   7  11
ATOM     11  N   LIG    1        5.309  -0.539  -0.875  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1        5.316  -0.526  -1.897  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.271   0.450  -0.352  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.011   1.842  -0.947  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        6.960   2.124  -2.101  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        8.330   2.086  -1.704  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        8.651   1.129  -0.696  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        7.688  -0.045  -0.664  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.674  -0.645   1.339  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.404  -1.878   0.784  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.831  -3.058   1.378  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.874  -2.997   1.199  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.916  -1.882   1.088  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.625  -0.726   0.515  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.824  -1.164  -0.227  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.682  -0.021  -0.729  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.589   1.258  -0.154  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.414   2.292  -0.616  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.346   2.052  -1.624  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.456   0.780  -2.183  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.556   1.529   0.910  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.630  -0.252  -1.736  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.023   0.241   1.551  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8