REMARK  Name = BDB000732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.036  -2.237  -0.951  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1       -0.863  -1.705  -0.108  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.033  -1.285  -0.617  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -2.328  -1.427  -1.950  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -1.340  -1.988  -2.716  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1       -1.565  -2.218  -4.402  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1       -0.150  -2.396  -2.261  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -2.937  -0.755   0.306  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -2.530  -0.819   1.236  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -3.916   0.246   0.204  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.891   0.327   1.207  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -5.924   1.284   1.154  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.997   2.187   0.076  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -6.962   3.119  -0.021  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1       -7.890   3.174   0.960  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -7.905   2.332   2.055  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -5.029   2.099  -0.911  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -6.905   1.372   2.151  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -4.003   1.145  -0.859  0.00  0.00    +0.025 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  S   LIG    1        1.562  -2.778  -0.235  0.00  0.00    -0.071 S 
BRANCH  20  21
ATOM     21  C   LIG    1        2.720  -2.413  -1.613  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.059  -3.099  -1.363  0.00  0.00    +0.318 C 
ATOM     23  O   LIG    1        4.428  -3.720  -0.380  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.896  -2.996  -2.422  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        5.691  -3.493  -2.135  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  C   LIG    1        2.890  -0.910  -1.914  0.00  0.00    +0.026 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.129   0.052  -0.740  0.00  0.00    +0.002 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.412  -0.216   0.046  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.675   0.890   1.071  0.00  0.00    -0.000 C 
BRANCH  29  31
ATOM     30  C   LIG    1        6.216   1.713   2.887  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        5.951   0.617   1.867  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 11