REMARK  Name = BDB049830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.169  -0.222   0.753  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -4.782  -0.428   0.612  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.924   0.057   1.596  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.673  -0.311   1.172  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -1.808  -0.159   1.669  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -2.787  -0.961  -0.033  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -4.361   0.745   2.731  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.739   0.945   2.855  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -4.058  -1.064  -0.379  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -6.630   0.473   1.887  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.683  -1.522  -0.798  0.00  0.00    +0.282 C 
ATOM     12  N   LIG    1       -0.535  -0.750  -0.916  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.621  -1.259  -1.635  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1        1.691  -0.152  -1.506  0.00  0.00    +0.073 C 
ATOM     15  C   LIG    1        0.797   1.093  -1.551  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1       -0.422   0.691  -0.725  0.00  0.00    +0.110 C 
ATOM     17  O   LIG    1       -1.735  -2.640  -1.311  0.00  0.00    -0.267 OA
BRANCH  14  18
ATOM     18  N   LIG    1        2.404  -0.232  -0.213  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        2.355  -1.192   0.133  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.825   0.145  -0.309  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.544  -0.234   0.993  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        6.054   0.011   0.905  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        6.447   1.065  -0.128  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        5.408   2.173  -0.222  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.016   1.646  -0.591  0.00  0.00    +0.019 C 
ENDBRANCH  18  20
ENDBRANCH  14  18
ENDBRANCH   6  11
BRANCH   1  29
ATOM     26  N   LIG    1       -6.658  -1.403  -1.317  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -7.303  -1.778  -1.997  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.664  -1.603  -1.410  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -7.146  -0.712  -0.247  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1       -8.348  -0.509  -0.119  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 4