REMARK  Name = BDB021762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.690   0.458  -1.004  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.942  -0.168  -0.924  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.940  -1.356  -0.226  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        2.201  -1.421   0.459  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.951   0.331  -1.415  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.999  -2.295  -0.112  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        3.922  -3.318   0.859  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        4.950  -4.265   0.984  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        6.053  -4.204   0.139  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        7.312  -5.365   0.292  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        6.137  -3.214  -0.833  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        5.113  -2.269  -0.961  0.00  0.00    +0.026 A 
BRANCH   7  13
ATOM     13  C   LIG    1        2.793  -3.426   1.736  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        1.853  -3.474   2.415  0.00  0.00    -0.191 NA
ENDBRANCH   7  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -2.458   0.551  -0.153  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -1.640  -0.274   0.741  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.162   0.105   0.665  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.395  -0.219  -0.723  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -0.665  -0.075  -1.827  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -1.812   0.858  -1.440  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.880   0.144  -0.284  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -4.709   1.367  -0.721  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.486  -0.453   1.017  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.262  -1.904  -0.114  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.964  -0.861   0.953  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        1.694   1.871  -1.418  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.778   2.844  -0.260  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        2.924   2.906   0.547  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.001   3.807   1.611  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.936   4.662   1.880  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.796   4.622   1.080  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.719   3.723   0.015  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8