REMARK  Name = BDB056603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.495  -2.160   0.303  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.180  -3.256   0.704  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        2.528  -3.210   0.854  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        3.233  -2.038   0.577  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.515  -0.929   0.139  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        3.422   0.080  -0.088  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        3.188   1.004  -0.420  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        4.689  -0.348   0.207  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        4.604  -1.659   0.622  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.128  -0.962  -0.015  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.968   0.505   0.085  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        6.032   1.813  -0.333  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        7.354   2.152  -0.283  0.00  0.00    -0.274 N 
ATOM     14  C   LIG    1        7.939   3.426  -0.627  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        8.151   1.153   0.140  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.300   0.147   0.364  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.880  -2.341   0.182  0.00  0.00    -0.297 N 
ATOM     18  H   LIG    1       -1.109  -3.322   0.326  0.00  0.00    +0.154 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.273  -2.031  -0.077  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1       -2.012  -1.513   0.320  0.00  0.00    +0.075 A 
ATOM     21  C   LIG    1       -1.946  -0.193   0.785  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -3.091   0.605   0.846  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -4.317   0.093   0.418  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -4.417  -1.231  -0.020  0.00  0.00    +0.060 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -5.548   0.911   0.499  0.00  0.00    +0.246 C 
ATOM     26  N   LIG    1       -5.554   2.186  -0.065  0.00  0.00    -0.304 N 
ATOM     27  C   LIG    1       -6.718   3.026   0.160  0.00  0.00    +0.132 C 
ATOM     28  C   LIG    1       -4.639   2.631  -1.107  0.00  0.00    +0.132 C 
ATOM     29  O   LIG    1       -6.514   0.423   1.082  0.00  0.00    -0.270 OA
ENDBRANCH  23  25
BRANCH  19  31
ATOM     30  C   LIG    1       -4.506  -3.927  -0.850  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -3.259  -3.344  -0.492  0.00  0.00    -0.493 OA
ENDBRANCH  19  31
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5