REMARK  Name = BDB040440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.093  -1.692  -0.711  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.326  -1.193  -0.718  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.228  -1.577   0.275  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.545  -1.093   0.279  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.535  -1.626   1.597  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.008  -0.208  -0.720  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.071   0.195  -1.696  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.454   1.337  -2.941  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.756  -0.291  -1.694  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.443   0.316  -0.754  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.499  -0.785  -0.696  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.366  -1.876  -1.247  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.674  -0.472  -0.054  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.371  -1.204  -0.034  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        8.095   0.762   0.371  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.242   0.937   0.772  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.108   1.895   0.235  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.676   1.391   0.313  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.338  -0.887  -0.149  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.967  -0.729  -0.084  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.571  -0.133   0.629  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.835  -1.812  -0.789  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.669   1.579   0.411  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.177   0.140   0.669  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -2.938  -0.181   2.162  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.670   0.088   0.259  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -5.698  -0.197   1.179  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -7.037  -0.210   0.740  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.387   0.051  -0.585  0.00  0.00    +0.078 A 
ATOM     30  N   LIG    1       -8.744   0.007  -0.864  0.00  0.00    -0.247 NA
ATOM     31  C   LIG    1       -9.405  -0.290   0.231  0.00  0.00    +0.157 A 
ATOM     32  C   LIG    1       -6.362   0.329  -1.505  0.00  0.00    +0.029 A 
ATOM     33  S   LIG    1       -8.471  -0.524   1.646  0.00  0.00    -0.075 S 
ATOM     34  C   LIG    1       -5.028   0.344  -1.078  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5