REMARK  Name = BDB017333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.882  -0.121   0.726  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.582  -0.460   0.649  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -0.015  -0.997   1.735  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.685  -1.186   2.920  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1       -0.018  -1.863   4.335  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        2.007  -0.814   2.907  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        2.623  -0.288   1.831  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.419   0.418  -0.444  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.679   0.435  -1.134  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  N   LIG    1        5.756   1.479  -0.711  0.00  0.00    -0.267 N 
ATOM     11  N   LIG    1        5.364   1.751  -1.972  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        4.080   1.380  -1.984  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1        3.652   0.873  -0.738  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        4.760   0.959   0.066  0.00  0.00    +0.131 A 
BRANCH  10  15
ATOM     15  C   LIG    1        7.118   1.758  -0.300  0.00  0.00    +0.174 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.141  -0.017  -1.854  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1        8.069   0.564  -0.448  0.00  0.00    +0.133 C 
BRANCH  17  18
ATOM     18  O   LIG    1        7.746  -0.472   0.484  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        6.951  -0.932   0.157  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  N   LIG    1       -1.395  -1.307   1.683  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -1.530  -2.213   2.130  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.032  -1.222   0.365  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -3.395  -1.923   0.422  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -4.322  -0.851   0.992  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1       -3.871   0.423   0.287  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -4.729   0.489  -0.983  0.00  0.00    +0.113 C 
ATOM     27  N   LIG    1       -5.855  -0.433  -0.740  0.00  0.00    -0.181 NA
ATOM     28  C   LIG    1       -5.785  -0.999   0.614  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -2.373   0.240   0.016  0.00  0.00    +0.027 C 
BRANCH  27  30
ATOM     30  S   LIG    1       -7.338  -0.159  -1.463  0.00  0.00    +0.029 S 
ATOM     31  O   LIG    1       -8.188  -1.292  -1.167  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -7.091   0.265  -2.825  0.00  0.00    -0.158 OA
ATOM     33  C   LIG    1       -7.973   1.245  -0.564  0.00  0.00    +0.215 C 
ENDBRANCH  27  30
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 8