REMARK  Name = BDB033999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.807  -1.735   0.226  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.397  -4.176   0.177  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.181  -2.925  -0.367  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        0.234  -2.774  -0.721  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        2.254  -4.401   1.025  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.742  -6.610   0.180  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.469  -5.231  -0.393  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        2.115  -0.711  -0.880  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.552   0.624  -0.356  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        4.207   0.950  -0.054  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        3.800   2.544   0.458  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        2.417   2.712   0.363  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        1.855   3.952   0.729  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.686   4.984   1.179  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.060   4.788   1.266  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        5.064   6.071   1.825  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.646   3.571   0.910  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1        1.715   1.608  -0.092  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.924  -1.201   1.385  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.145  -0.307   0.972  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        0.071   0.686   1.009  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -1.196  -0.688   0.163  0.00  0.00    +0.233 C 
ATOM     23  O   LIG    1       -1.342  -1.845  -0.225  0.00  0.00    -0.274 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.101   0.502  -0.294  0.00  0.00    +0.094 C 
ATOM     25  C   LIG    1       -2.584   1.316   0.931  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -3.990   1.910   0.789  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.325   2.279  -0.647  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -4.255   1.069  -1.578  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -3.309  -0.032  -1.087  0.00  0.00    +0.031 C 
BRANCH  24  30
ATOM     30  N   LIG    1       -1.297   1.371  -1.193  0.00  0.00    -0.317 NA
ATOM     31  H   LIG    1       -1.056   0.844  -2.033  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -0.401   1.613  -0.760  0.00  0.00    +0.119 HD
ENDBRANCH  24  30
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8