REMARK  Name = BDB005620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400   1.079  -0.058  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.192  -0.087  -0.201  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.547  -1.272  -0.609  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.270  -2.464  -0.732  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.810  -3.320  -1.007  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.603  -2.579  -0.468  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.315  -1.339  -0.072  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.796  -1.460   0.183  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.512  -0.105   0.238  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.681   0.922   0.999  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.360   0.981   0.404  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -2.752   1.737   0.724  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.176  -3.660  -0.559  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.822  -1.311  -0.889  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.597  -0.158  -0.758  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.663  -0.165   0.049  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.975   1.029  -0.342  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -0.275   3.430   0.403  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.025   2.222   0.387  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        3.079  -0.182  -1.067  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.900   0.266   0.056  0.00  0.00    -0.291 NA
ATOM     22  C   LIG    1        5.318   0.418  -0.308  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        6.058   0.002   0.915  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1        5.229  -0.591   1.777  0.00  0.00    -0.015 C 
ATOM     25  C   LIG    1        3.847  -0.634   1.223  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3