REMARK  Name = BDB063268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.808  -0.527  -1.615  0.00  0.00    +0.009 C 
ATOM      2  C   LIG    1       -0.250   0.289  -0.826  0.00  0.00    -0.002 C 
ATOM      3  C   LIG    1        0.320   1.629  -0.329  0.00  0.00    +0.023 C 
ATOM      4  C   LIG    1        1.669   1.489   0.372  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        2.619   0.788  -0.496  0.00  0.00    -0.309 N 
ATOM      6  C   LIG    1        2.182  -0.551  -0.919  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.962   0.901  -0.217  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        4.711   2.387   0.275  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.246   1.625   0.343  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        6.099   0.291  -0.029  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        7.239  -0.538  -0.052  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        8.488  -0.012   0.297  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        8.604   1.325   0.666  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       10.150   1.954   1.095  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.492   2.170   0.696  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        4.813  -0.095  -0.346  0.00  0.00    -0.225 NA
ENDBRANCH   5   7
BRANCH   1  18
ATOM     17  C   LIG    1        1.310   1.229  -3.509  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        0.897  -0.180  -3.121  0.00  0.00    +0.002 C 
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  C   LIG    1       -0.809  -0.569   0.337  0.00  0.00    +0.045 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.042   0.030   1.018  0.00  0.00    +0.229 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.494  -0.917   1.999  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.854  -0.831   2.160  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -4.450   0.082   3.033  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1       -3.515   1.188   3.972  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -5.840   0.104   3.160  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -6.630  -0.789   2.428  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -6.036  -1.727   1.572  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -4.639  -1.744   1.449  0.00  0.00    +0.051 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -6.883  -2.684   0.766  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.173  -2.203  -0.636  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -6.840  -1.154  -1.160  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.897  -3.104  -1.336  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -8.015  -2.677  -2.210  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9