REMARK  Name = BDB010751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.030   0.189  -1.746  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.671   0.044  -1.470  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.033   0.945  -0.565  0.00  0.00    +0.161 C 
ATOM      4  C   LIG    1        1.390   0.413  -0.130  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1        2.032   1.119   0.874  0.00  0.00    -0.356 N 
ATOM      6  H   LIG    1        1.530   1.863   1.344  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        3.246   0.689   1.420  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.879  -0.443   0.897  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        5.099  -0.878   1.390  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        5.704  -2.079   0.797  0.00  0.00    +0.273 A 
ATOM     11  N   LIG    1        4.992  -2.677  -0.218  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1        5.391  -3.509  -0.640  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1        3.789  -2.263  -0.714  0.00  0.00    -0.171 NA
ATOM     14  O   LIG    1        6.781  -2.510   1.194  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1        5.724  -0.177   2.424  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        5.112   0.963   2.949  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        3.245  -1.200  -0.195  0.00  0.00    +0.099 A 
ATOM     18  C   LIG    1        3.880   1.397   2.445  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        1.924  -0.695  -0.689  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        1.254  -1.458  -1.794  0.00  0.00    +0.058 C 
ATOM     21  C   LIG    1        0.150  -0.643  -2.460  0.00  0.00    +0.113 C 
ATOM     22  O   LIG    1       -2.565  -0.268  -2.750  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  28
ATOM     23  C   LIG    1       -3.143   1.494   1.761  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -3.172   0.484   0.633  0.00  0.00    -0.017 C 
ATOM     25  C   LIG    1       -4.285   0.582  -0.421  0.00  0.00    -0.017 C 
ATOM     26  C   LIG    1       -5.304   1.699  -0.336  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -4.899  -0.690  -0.970  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -2.849   0.979  -0.778  0.00  0.00    +0.088 C 
ATOM     29  C   LIG    1       -2.697  -0.883   1.084  0.00  0.00    +0.012 C 
ENDBRANCH   1  28
TORSDOF 1