REMARK  Name = BDB021847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.857   0.324   0.003  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.683   0.681   1.077  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.035   0.623   0.811  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.308   0.038   0.031  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.212   0.990   2.169  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.099   1.054   1.645  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -5.427   0.636   1.395  0.00  0.00    +0.082 A 
ATOM      8  C   LIG    1       -6.471   1.055   2.241  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -6.211   1.902   3.312  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -7.495   2.415   4.333  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -4.916   2.340   3.554  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.871   1.920   2.725  0.00  0.00    +0.025 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -5.839  -0.274   0.291  0.00  0.00    +0.341 C 
ATOM     14  O   LIG    1       -6.839  -0.973   0.340  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.000  -0.172  -0.770  0.00  0.00    -0.464 OA
ATOM     16  C   LIG    1       -5.403  -0.954  -1.899  0.00  0.00    +0.280 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        3.407   0.675  -0.455  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        2.874  -0.675  -0.230  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.383  -0.729  -0.568  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.603   0.300   0.260  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        1.224   1.694   0.094  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        2.723   1.661   0.394  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.882   0.780  -0.352  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        5.520   0.147  -1.598  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        5.484   0.211   0.955  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.500   0.048   2.463  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.977   0.521   1.115  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.317   0.308  -1.391  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.653  -1.066  -1.931  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.918  -2.170  -1.107  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.258  -3.408  -1.658  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.343  -3.559  -3.039  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.088  -2.473  -3.873  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.749  -1.235  -3.323  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9