REMARK  Name = BDB059739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.176  -0.974   0.359  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -3.274  -0.142   0.243  0.00  0.00    -0.321 N 
ATOM      3  C   LIG    1       -3.255   1.250  -0.163  0.00  0.00    +0.142 C 
ATOM      4  C   LIG    1       -4.470   1.649  -0.989  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -5.677   1.771  -0.197  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -6.251   2.598  -0.328  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -6.371   0.760   0.417  0.00  0.00    +0.248 C 
ATOM      8  C   LIG    1       -5.769  -0.569   0.602  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1       -6.588  -1.650   0.927  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -6.165  -2.924   1.131  0.00  0.00    -0.260 NA
ATOM     11  C   LIG    1       -4.837  -3.189   1.033  0.00  0.00    +0.140 A 
ATOM     12  C   LIG    1       -3.933  -2.165   0.731  0.00  0.00    +0.108 A 
ATOM     13  O   LIG    1       -7.513   0.978   0.811  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -4.407  -0.872   0.518  0.00  0.00    +0.084 A 
ATOM     15  N   LIG    1       -2.569  -2.211   0.599  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        1.952   0.173  -0.144  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        1.387  -0.893  -0.859  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        0.048  -1.267  -0.682  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -0.779  -0.569   0.200  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -0.234   0.491   0.926  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        1.106   0.858   0.746  0.00  0.00    +0.024 A 
BRANCH  16  26
ATOM     22  C   LIG    1        6.814  -0.529  -0.157  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        6.248   0.798  -0.387  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        5.444   1.256   0.767  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        4.076   0.554   0.957  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1        3.283   0.591  -0.296  0.00  0.00    -0.327 N 
ATOM     27  C   LIG    1        4.036   0.099  -1.469  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.396   0.828  -1.597  0.00  0.00    +0.103 C 
ENDBRANCH  16  26
ENDBRANCH   1  19
TORSDOF 2