REMARK  Name = BDB036228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.045   0.687  -1.260  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.161  -0.420  -0.831  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.163   0.107  -0.221  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.935   0.997  -1.121  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.034   1.822  -1.959  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.393   2.000  -1.391  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.073   0.403  -0.221  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -5.539  -0.589  -0.980  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -4.224  -0.470  -1.324  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -3.718  -1.563  -2.223  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.394   0.602  -0.919  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.017   1.602  -0.155  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.362   1.509   0.204  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.504  -1.198  -0.179  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.108  -0.893  -0.336  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.526  -1.468  -0.941  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.519   0.255   0.148  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.096   1.101   0.820  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.893   1.835  -0.384  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.970   1.047   0.348  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        4.030   0.385  -0.318  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1        4.166   0.442  -1.818  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        5.008  -0.278   0.460  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1        4.927  -0.318   1.867  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1        5.877  -0.969   2.680  0.00  0.00    -0.207 NA
ATOM     26  C   LIG    1        6.870  -1.552   2.084  0.00  0.00    +0.282 A 
ATOM     27  C   LIG    1        7.077  -1.562   0.563  0.00  0.00    +0.311 A 
ATOM     28  O   LIG    1        8.031  -2.113   0.034  0.00  0.00    -0.262 OA
ATOM     29  C   LIG    1        3.866   0.323   2.499  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1        6.107  -0.905  -0.155  0.00  0.00    -0.316 N 
ATOM     31  H   LIG    1        6.230  -0.902  -1.157  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1        2.900   0.997   1.754  0.00  0.00    +0.007 A 
BRANCH  26  33
ATOM     33  O   LIG    1        7.847  -2.223   2.728  0.00  0.00    -0.476 OA
ATOM     34  C   LIG    1        7.732  -2.290   4.151  0.00  0.00    +0.279 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5