REMARK  Name = BDB036781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.068  -0.722  -0.555  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -1.142   0.099  -0.271  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.944   1.094  -0.213  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.187  -1.821  -1.081  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.483  -0.245  -0.739  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -3.356   1.002  -0.555  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.069   2.081  -1.073  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.393   0.913   0.337  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.910   1.772   0.470  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.395   0.097   1.438  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.056   0.385   2.432  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.474  -1.098   1.401  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.099  -1.452  -0.029  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     14  C   LIG    1        3.849   0.623   0.270  0.00  0.00    +0.214 A 
ATOM     15  N   LIG    1        3.667  -0.374  -0.622  0.00  0.00    -0.221 NA
ATOM     16  C   LIG    1        2.387  -0.767  -0.842  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        1.279  -0.199  -0.223  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        1.504   0.822   0.703  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.811   1.242   0.951  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.133   0.390  -0.177  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        5.120   1.077   0.552  0.00  0.00    -0.480 OA
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3