REMARK  Name = BDB021770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.081   0.538  -0.720  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.772  -0.628  -0.377  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.138  -0.470  -0.288  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1        3.475   0.470  -0.130  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.195  -1.687  -0.150  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.110  -1.475  -0.089  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        5.412  -1.056   0.210  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1        5.675   0.258   0.311  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        6.447  -1.965   0.413  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        6.199  -3.336   0.302  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        7.292  -4.332   0.552  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        4.898  -3.766   0.009  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.863  -2.843  -0.194  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -3.138  -0.443  -0.316  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -2.594  -0.137  -1.650  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.071  -0.287  -1.719  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.396   0.578  -0.657  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.969   0.249   0.723  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.491   0.403   0.711  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.626  -0.351  -0.223  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -5.365  -0.797  -1.500  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.108  -1.214   0.978  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.163   0.194   1.551  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.614  -1.196   1.273  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.722   1.677  -1.386  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.900   2.893  -0.502  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.034   2.801   0.892  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.232   3.946   1.667  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.310   5.197   1.059  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.192   5.304  -0.325  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.994   4.160  -1.100  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7