REMARK  Name = BDB021731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.290  -0.444  -0.725  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.927   0.798  -0.680  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.300   0.734  -0.760  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.717  -0.148  -0.490  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.298   1.845  -0.556  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.220   1.807  -0.859  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -5.591   1.538  -0.654  0.00  0.00    +0.080 A 
ATOM      8 CL   LIG    1       -6.086  -0.088  -0.273  0.00  0.00    -0.080 Cl
ATOM      9  C   LIG    1       -6.535   2.571  -0.755  0.00  0.00    +0.061 A 
ATOM     10 CL   LIG    1       -8.228   2.312  -0.512  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -6.122   3.868  -1.065  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -4.772   4.136  -1.278  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.828   3.111  -1.179  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.648   0.961   0.319  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.039  -0.093   1.135  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.517  -0.139   1.005  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.155  -0.546  -0.428  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.052   0.141  -1.469  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.868   1.297  -0.885  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.109   0.847   0.092  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.683   2.245  -0.211  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.881   0.231   1.294  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.830  -0.725  -0.058  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.404   0.114   1.137  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       -1.926  -1.650  -1.268  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.370  -2.649  -0.222  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.562  -3.986  -0.606  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.009  -4.938   0.313  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.278  -4.565   1.627  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.103  -3.241   2.021  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.657  -2.288   1.103  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7