REMARK  Name = BDB056166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.652  -0.386  -0.518  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        1.184  -1.672   0.057  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.322  -1.888  -0.231  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.640  -1.796  -1.667  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.192  -0.491  -2.188  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.320  -0.262  -1.953  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.492   0.786   0.860  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.269   0.612  -0.508  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.004   0.224  -0.973  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.934  -0.005  -0.095  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.176   0.208   1.273  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.434   0.598   1.749  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.250   1.084   1.160  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.922   0.840   0.657  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1        7.813   0.133  -0.057  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.816   1.198   1.403  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        6.888   1.790   2.474  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -2.031  -2.123  -1.996  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.110  -1.224  -1.429  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -3.689  -1.502  -0.179  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.687  -0.672   0.333  0.00  0.00    +0.076 A 
ATOM     22  N   LIG    1       -5.223  -0.936   1.594  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1       -4.833  -1.651   2.192  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -6.240  -0.178   2.111  0.00  0.00    +0.258 C 
ATOM     25  C   LIG    1       -6.886   0.792   1.105  0.00  0.00    +0.256 C 
ATOM     26  O   LIG    1       -6.052   1.327   0.080  0.00  0.00    -0.478 OA
ATOM     27  C   LIG    1       -7.520   1.968   1.838  0.00  0.00    +0.062 C 
ATOM     28  O   LIG    1       -6.636  -0.353   3.261  0.00  0.00    -0.271 OA
ATOM     29  C   LIG    1       -5.118   0.442  -0.389  0.00  0.00    +0.143 A 
ATOM     30  C   LIG    1       -4.545   0.733  -1.623  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -3.554  -0.101  -2.145  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4