REMARK  Name = BDB049796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.604  -1.510  -1.515  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        2.645  -2.281  -1.976  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1        2.923  -2.332  -2.947  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1        3.199  -2.957  -0.922  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.447  -2.561   0.181  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        2.770  -3.087   1.448  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.840  -3.998   1.543  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.571  -4.374   0.413  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        4.265  -3.858  -0.849  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.461  -1.668  -0.210  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.519   1.510  -0.479  0.00  0.00    +0.072 C 
ATOM     12  C   LIG    1       -0.522   0.332  -0.480  0.00  0.00    +0.126 C 
ATOM     13  N   LIG    1       -0.189   0.126  -1.884  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        0.807  -0.679  -2.409  0.00  0.00    +0.282 C 
ATOM     15  O   LIG    1        1.016  -0.700  -3.624  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -1.035   0.931  -2.743  0.00  0.00    +0.110 C 
ATOM     17  C   LIG    1       -2.189   1.361  -1.851  0.00  0.00    +0.039 C 
BRANCH  11  18
ATOM     18  N   LIG    1       -2.442   1.465   0.658  0.00  0.00    -0.312 NA
ATOM     19  H   LIG    1       -3.025   0.630   0.576  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.313   2.636   0.766  0.00  0.00    +0.081 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.540   5.031   1.509  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -2.581   3.867   1.305  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1        2.029  -2.714   2.676  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        2.328  -3.177   3.770  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        0.997  -1.831   2.544  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        0.492  -1.539   3.369  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        0.755  -1.436   1.640  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 5