REMARK  Name = BDB031224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.473  -1.163  -0.251  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.084   0.173  -0.416  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.715   0.482  -0.432  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.125   1.707  -0.544  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.177   1.492  -0.527  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.460   0.135  -0.360  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        0.765  -0.526  -0.317  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.137  -1.869  -0.134  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.506  -2.166  -0.118  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.739  -0.480  -0.247  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.715   0.088   0.586  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.923  -0.566   0.655  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.181  -1.735  -0.059  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.480  -2.136   0.232  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.967  -2.943  -0.121  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -6.043  -1.222   1.135  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -7.164  -1.262   1.608  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.246  -2.315  -0.879  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -5.061  -0.252   1.388  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -5.198   0.528   2.010  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.003  -1.674  -0.970  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        7.202  -0.928   0.359  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.808  -0.602   0.194  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.460   0.222   0.666  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.908  -1.561  -0.225  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.233  -2.702  -0.534  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -1.192   2.575  -0.794  0.00  0.00    +0.049 C 
ATOM     28  C   LIG    1       -1.201   3.590   0.350  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -0.880   3.277  -2.120  0.00  0.00    +0.015 C 
ENDBRANCH   5  27
TORSDOF 3