REMARK  Name = BDB003953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.040  -0.556  -0.253  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1        0.038  -0.062   0.697  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.335  -0.403   0.076  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -1.870   0.834  -0.656  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.661   1.057  -1.847  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.514   1.772   0.101  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -2.450   2.635  -0.436  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.868   1.625   0.222  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.615   2.487  -0.239  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.410   0.454   1.011  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.764  -0.896   0.734  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.300  -0.914   1.161  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -0.991  -1.512  -0.936  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.410  -1.153  -1.426  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        5.095   0.636  -0.132  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        4.569   0.042  -1.276  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.223  -0.351  -1.311  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.360  -0.159  -0.220  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.924   0.434   0.923  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        4.268   0.830   0.972  0.00  0.00    +0.020 A 
BRANCH  15  22
ATOM     21  N   LIG    1        7.583   1.364  -0.051  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        6.469   1.038  -0.088  0.00  0.00    +0.099 C 
ENDBRANCH  15  22
ENDBRANCH   1  18
TORSDOF 2