REMARK  Name = BDB056160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.475  -0.492  -0.272  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.506   0.491   0.245  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.929   0.012  -0.071  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.293  -1.266   0.595  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.086  -2.066   0.902  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.096  -1.910  -0.084  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.633   0.319  -0.093  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.113  -0.491  -1.105  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        3.730  -0.748  -1.194  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1        3.252  -1.596  -2.345  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1        2.842  -0.208  -0.234  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.389   0.634   0.751  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        4.761   0.900   0.825  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     14  N   LIG    1        7.653   0.818   1.180  0.00  0.00    -0.312 N 
ATOM     15  H   LIG    1        7.085   0.738   2.011  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.103   0.559  -0.059  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        7.761   0.496  -1.091  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.429   2.507   1.068  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        9.071   1.058   1.345  0.00  0.00    +0.101 C 
ENDBRANCH  14  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.253  -2.033  -0.215  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.592  -1.339  -0.360  0.00  0.00    -0.031 A 
ATOM     22  C   LIG    1       -4.352  -1.021   0.775  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -5.584  -0.383   0.640  0.00  0.00    +0.076 A 
ATOM     24  N   LIG    1       -6.326  -0.094   1.785  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1       -6.016  -0.399   2.697  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -7.516   0.571   1.723  0.00  0.00    +0.258 C 
ATOM     27  C   LIG    1       -7.897   1.111   0.338  0.00  0.00    +0.256 C 
ATOM     28  O   LIG    1       -7.304   0.528  -0.818  0.00  0.00    -0.478 OA
ATOM     29  C   LIG    1       -7.634   2.614   0.300  0.00  0.00    +0.062 C 
ATOM     30  O   LIG    1       -8.188   0.771   2.733  0.00  0.00    -0.271 OA
ATOM     31  C   LIG    1       -6.082  -0.062  -0.626  0.00  0.00    +0.146 A 
ATOM     32  C   LIG    1       -5.343  -0.383  -1.773  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -5.869  -0.059  -3.143  0.00  0.00    +0.047 C 
ATOM     34  C   LIG    1       -4.099  -1.018  -1.629  0.00  0.00    +0.012 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5