REMARK  Name = BDB007595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.561  -2.006   1.288  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.591  -2.212   2.182  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -1.431  -1.937   3.143  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.515  -2.547   0.190  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.874  -0.452   1.596  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        1.813  -1.284   1.208  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.528  -1.092   1.730  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        0.292  -0.041   2.624  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.341   0.795   3.010  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.624   0.589   2.502  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        4.258  -0.661   1.031  0.00  0.00    +0.116 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.355  -0.367  -0.403  0.00  0.00    -0.304 NA
ATOM     13  H   LIG    1        5.270  -0.673  -0.725  0.00  0.00    +0.123 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.202   1.070  -0.705  0.00  0.00    +0.178 C 
BRANCH  14  17
ATOM     15  C   LIG    1        6.802   1.128  -2.160  0.00  0.00    +0.131 C 
ATOM     16  N   LIG    1        6.563   1.909  -0.955  0.00  0.00    -0.307 N 
ATOM     17  C   LIG    1        5.397   1.889  -0.194  0.00  0.00    +0.229 C 
ATOM     18  O   LIG    1        5.312   2.480   0.887  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1        7.718   2.621  -0.430  0.00  0.00    +0.131 C 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -2.644  -3.197   1.955  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.562  -2.939   0.737  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.921  -3.389  -0.464  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.996  -3.057  -0.438  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.989  -1.454   0.628  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.225  -1.213  -0.153  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.611   0.211  -0.113  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -4.803   1.123  -1.014  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.114   0.610  -2.128  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -3.398   1.478  -2.963  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.385   2.849  -2.709  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.084   3.362  -1.619  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.090  -0.877  -2.389  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -4.793   2.505  -0.777  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.137  -1.638  -1.562  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10