REMARK  Name = BDB021777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.308  -0.436  -0.709  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.937   0.810  -0.654  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.311   0.753  -0.716  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.731  -0.128  -0.446  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.302   1.853  -0.536  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.225   1.832  -0.800  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -5.591   1.571  -0.586  0.00  0.00    +0.097 A 
ATOM      8 CL   LIG    1       -6.138  -0.031  -0.210  0.00  0.00    -0.079 Cl
ATOM      9  C   LIG    1       -6.525   2.604  -0.673  0.00  0.00    +0.143 A 
ATOM     10  F   LIG    1       -7.830   2.367  -0.467  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1       -6.127   3.901  -0.975  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -4.779   4.169  -1.198  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.834   3.139  -1.115  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.651   0.946   0.288  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.047  -0.107   1.110  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.523  -0.144   0.999  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.141  -0.546  -0.431  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.028   0.140  -1.482  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.858   1.290  -0.905  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.108   0.825   0.042  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.686   2.221  -0.265  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.892   0.202   1.233  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.818  -0.761  -0.146  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.412   0.077   1.056  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       -1.956  -1.637  -1.247  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.388  -2.638  -0.198  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.584  -3.975  -0.581  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.019  -4.928   0.342  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.274  -4.557   1.659  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.096  -3.233   2.053  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.660  -2.279   1.131  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7