REMARK  Name = BDB044778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.135   3.170   3.304  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.120   2.681   2.205  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        0.810   2.910   1.081  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.840   1.979   0.881  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.695   2.086  -0.223  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        2.546   3.205  -1.062  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.554   4.165  -0.824  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.811   1.092  -0.496  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1        3.607  -0.308  -0.104  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1        2.320  -0.792  -0.039  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1        2.131  -2.038   0.267  0.00  0.00    +0.092 A 
ATOM     12  C   LIG    1        3.222  -3.002   0.501  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.465  -2.537   0.365  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1        0.728  -2.515   0.442  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.307  -3.808   0.134  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.037  -4.161   0.308  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.960  -3.216   0.770  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1       -1.569  -1.910   1.068  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -2.552  -0.855   1.530  0.00  0.00    +0.164 C 
ATOM     20  N   LIG    1       -2.508   0.322   0.669  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1       -1.752   1.462   0.865  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1       -1.733   2.195  -0.224  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1       -2.548   1.564  -1.126  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1       -2.890   1.938  -2.433  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -3.750   1.112  -3.167  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.254  -0.065  -2.612  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.919  -0.456  -1.310  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.066   0.390  -0.591  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -0.209  -1.586   0.917  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1        4.726  -1.125   0.010  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        5.888  -0.759  -0.148  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1        0.679   4.020   0.251  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1       -1.134   1.760   2.058  0.00  0.00    -0.252 N 
ATOM     34  H   LIG    1       -1.538   1.431   2.922  0.00  0.00    +0.158 HD
ENDROOT
BRANCH  17  35
ATOM     35  O   LIG    1       -3.271  -3.562   0.927  0.00  0.00    -0.506 OA
ATOM     36  H   LIG    1       -3.389  -4.490   0.659  0.00  0.00    +0.292 HD
ENDBRANCH  17  35
TORSDOF 1