REMARK  Name = BDB000987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.603  -0.010  -0.382  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1        2.611  -0.503   0.411  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        2.550  -1.268   1.074  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.747   0.233   0.181  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.362   1.165  -0.771  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        4.299   2.099  -1.232  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        5.598   2.066  -0.706  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        5.961   1.114   0.254  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.040   0.159   0.716  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        2.044   0.996  -1.114  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        0.251  -2.000  -1.024  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        0.217  -0.596  -0.386  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1       -0.780   0.308  -1.135  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1       -2.071  -0.066  -0.538  0.00  0.00    -0.297 NA
ATOM     15  C   LIG    1       -1.805  -0.077   0.903  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.398  -0.663   1.030  0.00  0.00    +0.031 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.134   0.875  -0.915  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.501   0.432  -0.450  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.301   1.278   0.322  0.00  0.00    +0.128 A 
ATOM     20  F   LIG    1       -4.852   2.492   0.674  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -6.571   0.890   0.743  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -7.064  -0.364   0.389  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -6.284  -1.222  -0.385  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.011  -0.827  -0.805  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  12
BRANCH   9  25
ATOM     25  C   LIG    1        5.348  -0.886   1.724  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.457  -1.561   2.230  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        6.657  -1.103   2.049  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        6.841  -1.891   2.657  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        7.427  -0.754   1.500  0.00  0.00    +0.145 HD
ENDBRANCH   9  25
TORSDOF 4