REMARK  Name = BDB002800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.437  -1.499   1.429  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1       -0.374  -2.712   1.563  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.541  -1.458   0.542  0.00  0.00    +0.137 C 
ATOM      4  S   LIG    1        1.920  -2.697  -0.534  0.00  0.00    -0.018 S 
BRANCH   3   5
ATOM      5  N   LIG    1        2.317  -0.320   0.727  0.00  0.00    -0.297 N 
ATOM      6  H   LIG    1        2.409  -0.070   1.703  0.00  0.00    +0.154 HD
BRANCH   5   7
ATOM      7  C   LIG    1        3.211   0.335  -0.146  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        4.185   1.161   0.431  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        5.083   1.871  -0.370  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        5.000   1.773  -1.756  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        6.101   2.649  -2.744  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.020   0.978  -2.343  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.122   0.268  -1.539  0.00  0.00    +0.025 A 
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  C   LIG    1       -0.227  -0.266   1.886  0.00  0.00    +0.141 C 
BRANCH  14  18
ATOM     15  C   LIG    1       -3.513   0.914  -0.677  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -2.191   1.091  -1.090  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.129   0.713  -0.266  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -1.373   0.151   0.993  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -2.702  -0.027   1.403  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -3.764   0.353   0.574  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.816   1.143  -1.217  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.454   1.326  -1.579  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 6