REMARK  Name = BDB049820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.897  -1.098   0.966  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.890  -0.852   0.010  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        3.142  -1.165  -1.325  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        1.994  -0.814  -1.986  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1        1.812  -0.900  -2.977  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        1.102  -0.313  -1.074  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1        4.343  -1.717  -1.777  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.330  -1.956  -0.816  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        1.613  -0.324   0.147  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        5.115  -1.654   0.530  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.534  -0.239   2.791  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        2.395  -0.015   3.765  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        1.804  -0.036   2.114  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        3.720  -0.793   2.405  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        4.601  -1.023   3.224  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1       -0.226   0.153  -1.420  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1       -0.943   0.625  -0.343  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1       -0.519   0.470   0.566  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -0.670   0.116  -2.563  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.350   0.978  -0.435  0.00  0.00    +0.087 C 
ATOM     21  C   LIG    1       -3.261  -0.268  -0.454  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -4.698   0.015  -0.538  0.00  0.00    -0.314 NA
ATOM     23  H   LIG    1       -5.037  -0.191  -1.479  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -5.056   1.389  -0.189  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -4.248   1.906   0.997  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -2.745   1.918   0.711  0.00  0.00    +0.025 C 
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 3