REMARK  Name = BDB056188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.415   2.197  -0.119  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.309   3.163   0.084  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.036   2.543   0.531  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.458   1.471  -0.394  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        0.401   0.462  -0.647  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.932   1.142  -1.042  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.745   0.933  -0.240  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.537   1.137   0.899  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.822   0.588   1.007  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.361  -0.163  -0.040  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.594  -0.379  -1.186  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.309   0.171  -1.279  0.00  0.00    +0.024 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.730  -0.723   0.118  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        7.459  -0.882  -1.047  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        7.113  -0.469  -1.903  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        7.159  -0.985   1.237  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        8.803  -1.367  -1.035  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        9.091  -2.814  -1.320  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        9.486  -1.764  -2.315  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.887   1.654   1.165  0.00  0.00    +0.119 C 
BRANCH  20  33
ATOM     21  C   LIG    1       -4.435  -2.644   1.924  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -4.399  -1.231   1.416  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -5.527  -0.654   0.819  0.00  0.00    +0.146 A 
ATOM     24  O   LIG    1       -6.641  -1.444   0.678  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -7.849  -0.711   0.491  0.00  0.00    +0.256 C 
ATOM     26  C   LIG    1       -7.772   0.545  -0.391  0.00  0.00    +0.258 C 
ATOM     27  N   LIG    1       -6.578   1.212  -0.315  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1       -6.509   2.096  -0.801  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -8.709   0.994  -1.046  0.00  0.00    -0.271 OA
ATOM     30  C   LIG    1       -8.890  -1.681  -0.055  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -5.472   0.656   0.328  0.00  0.00    +0.076 A 
ATOM     32  C   LIG    1       -4.299   1.401   0.435  0.00  0.00    +0.032 A 
ATOM     33  C   LIG    1       -3.161   0.844   1.035  0.00  0.00    -0.031 A 
ATOM     34  C   LIG    1       -3.223  -0.471   1.526  0.00  0.00    +0.012 A 
ENDBRANCH  20  33
ENDBRANCH   1  20
TORSDOF 5