REMARK  Name = BDB000988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.954   0.740  -0.594  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1       -2.734  -0.084   0.183  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -2.449  -0.937   0.651  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -4.007   0.429   0.227  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.939   1.574  -0.549  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -5.093   2.351  -0.725  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -6.284   1.936  -0.116  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -6.325   0.773   0.663  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -5.175  -0.009   0.864  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -2.671   1.756  -1.042  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.075   1.577  -1.789  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -0.490   0.473  -0.875  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1        0.327   0.383   0.438  0.00  0.00    +0.098 C 
ATOM     14  N   LIG    1        1.038  -0.916   0.444  0.00  0.00    -0.301 NA
ATOM     15  C   LIG    1        0.230  -1.790  -0.420  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -0.287  -0.900  -1.538  0.00  0.00    +0.031 C 
BRANCH  14  17
ATOM     17  C   LIG    1        2.425  -0.806  -0.045  0.00  0.00    +0.089 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.364  -0.182   1.002  0.00  0.00    +0.050 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.787  -0.116   0.499  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        5.676  -1.172   0.738  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        6.984  -1.118   0.254  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.413  -0.012  -0.476  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.535   1.042  -0.724  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.227   0.990  -0.241  0.00  0.00    +0.003 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  12
BRANCH   9  25
ATOM     25  C   LIG    1       -5.137  -1.250   1.676  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -4.171  -2.005   1.634  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -6.193  -1.511   2.503  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -6.875  -0.813   2.759  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -6.086  -2.302   3.125  0.00  0.00    +0.145 HD
ENDBRANCH   9  25
TORSDOF 5