REMARK  Name = BDB025350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.711   0.523  -1.159  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -1.320   0.279  -1.065  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -0.418  -0.005  -2.099  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1        0.797  -0.218  -1.500  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.144  -0.534  -2.036  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        3.082  -1.001  -0.894  0.00  0.00    +0.090 C 
ATOM      7  N   LIG    1        2.985  -0.128   0.304  0.00  0.00    -0.292 NA
ATOM      8  C   LIG    1        1.634  -0.211   0.923  0.00  0.00    +0.142 C 
ATOM      9  C   LIG    1        0.571  -0.040  -0.120  0.00  0.00    +0.083 A 
ATOM     10  N   LIG    1       -0.703   0.246   0.160  0.00  0.00    -0.165 NA
ATOM     11  O   LIG    1       -3.239   0.401  -2.268  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -7.974  -1.687  -0.273  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -6.819  -0.817   0.052  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1       -6.820   0.010   1.147  0.00  0.00    -0.358 N 
ATOM     15  H   LIG    1       -7.579   0.098   1.808  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1       -5.638   0.712   1.224  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.850   0.323   0.137  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.566   0.902  -0.007  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1       -3.139   1.861   0.928  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -3.953   2.227   1.998  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.217   1.657   2.168  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -5.611  -0.641  -0.589  0.00  0.00    +0.031 A 
ENDBRANCH   1  18
BRANCH   3  23
ATOM     23  N   LIG    1       -0.761  -0.029  -3.407  0.00  0.00    -0.343 N 
ATOM     24  H   LIG    1       -0.169  -0.470  -4.104  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -1.755  -0.005  -3.660  0.00  0.00    +0.144 HD
ENDBRANCH   3  23
BRANCH   7  26
ATOM     26  C   LIG    1        4.001  -0.473   1.312  0.00  0.00    +0.120 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.414  -0.131   0.886  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        6.425  -1.103   0.923  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        7.730  -0.781   0.546  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.040   0.514   0.135  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.046   1.490   0.101  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.741   1.171   0.477  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 4