REMARK  Name = BDB007700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.286  -0.243   1.246  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.616   0.689   0.781  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.295   1.418   0.155  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.049  -1.337   1.688  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.019  -0.600   1.075  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1       -4.441   0.677   0.996  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1       -3.517   1.662   1.010  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -2.157   1.440   1.085  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.726   0.120   1.155  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -2.669  -0.911   1.168  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.947  -1.650   1.113  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.672  -2.380   0.461  0.00  0.00    +0.148 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -8.391   0.020  -2.703  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -8.959  -0.883  -1.639  0.00  0.00    +0.213 C 
ATOM     15  N   LIG    1       -8.106  -1.239  -0.622  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1       -6.743  -0.764  -0.416  0.00  0.00    +0.130 C 
ATOM     17  C   LIG    1       -6.352  -1.262   0.986  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -7.249  -2.493   1.164  0.00  0.00    +0.043 C 
ATOM     19  C   LIG    1       -8.539  -2.081   0.475  0.00  0.00    +0.109 C 
ATOM     20  O   LIG    1      -10.126  -1.271  -1.691  0.00  0.00    -0.276 OA
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1        2.028   0.360   0.657  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.860   1.630   0.456  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.446   2.259  -0.773  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.981   1.809  -1.461  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.382   1.376   0.406  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.767   0.694  -0.851  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.946   1.325  -1.482  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.262   1.044  -0.793  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.438  -0.122  -0.029  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.681  -0.383   0.565  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.747   0.497   0.385  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.580   1.645  -0.386  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.283  -1.062   0.204  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.346   1.916  -0.976  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.053  -0.744  -0.663  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8