REMARK  Name = BDB000604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.769  -1.285   0.172  0.00  0.00    -0.248 N 
ATOM      2  C   LIG    1       -2.717  -0.247   0.157  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.947  -0.688   0.642  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -5.058   0.128   0.737  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.909   1.452   0.321  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.672   1.915  -0.171  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.797  -2.101   0.986  0.00  0.00    +0.250 C 
ATOM      8  O   LIG    1       -4.642  -2.834   1.444  0.00  0.00    -0.282 OA
ATOM      9  C   LIG    1       -2.563   1.063  -0.257  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.331  -2.460   0.635  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1       -1.834  -3.560   0.750  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.429  -1.191  -0.331  0.00  0.00    +0.219 C 
BRANCH  12  13
ATOM     13  N   LIG    1        0.295  -0.276   0.527  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        0.122  -0.484   1.506  0.00  0.00    +0.148 HD
BRANCH  13  19
ATOM     15  C   LIG    1        5.831   0.962  -0.304  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        4.378   0.648  -0.108  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        3.767   0.854   1.130  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        2.419   0.530   1.316  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.654  -0.043   0.290  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        2.270  -0.218  -0.954  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.620   0.103  -1.147  0.00  0.00    +0.005 A 
ENDBRANCH  13  19
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 3