REMARK  Name = BDB017836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.640  -1.648   1.711  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.147  -1.579   1.550  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.451  -2.776   1.955  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -1.826  -2.931   1.928  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.609  -1.863   1.474  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.024  -0.645   1.068  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.577  -3.752   2.435  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -0.627  -0.509   1.121  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.853  -3.173   1.812  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.823   0.477   0.593  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -2.255   1.607   0.006  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -3.276   2.372  -0.272  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -3.497   3.701  -0.872  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -4.962   3.988  -0.453  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -5.604   2.615  -0.179  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -4.447   1.793   0.096  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -4.207   0.594   0.655  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1        4.400  -1.147   1.613  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        3.704  -0.861   0.644  0.00  0.00    +0.246 C 
ATOM     20  N   LIG    1        2.350  -1.071   0.594  0.00  0.00    -0.304 N 
ATOM     21  H   LIG    1        1.807  -0.719  -0.182  0.00  0.00    +0.150 HD
BRANCH  19  22
ATOM     22  C   LIG    1        4.278  -0.209  -0.573  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        5.335   0.602  -0.400  0.00  0.00    +0.099 A 
ATOM     24  N   LIG    1        5.917   1.233  -1.475  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1        6.708   1.850  -1.335  0.00  0.00    +0.168 HD
ATOM     26  C   LIG    1        5.490   1.088  -2.774  0.00  0.00    +0.249 A 
ATOM     27  O   LIG    1        6.013   1.667  -3.718  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1        4.343   0.165  -2.974  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1        3.783  -0.447  -1.918  0.00  0.00    +0.020 A 
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 3