REMARK  Name = BDB047049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.807   3.515   1.442  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.335   2.909   0.273  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.527   1.529   0.035  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.145   0.650  -1.023  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -0.664  -0.607  -0.718  0.00  0.00    +0.028 A 
ATOM      6  N   LIG    1       -1.331  -0.538   0.514  0.00  0.00    -0.280 N 
ATOM      7  C   LIG    1       -2.019  -1.580   1.196  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1       -2.240  -1.454   2.401  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -0.496  -1.862  -1.515  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -1.213   0.776   0.989  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -1.695   1.380   2.169  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.479   2.748   2.382  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -2.549  -2.811   0.580  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.190  -4.051   1.120  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.714  -5.222   0.569  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -3.604  -5.145  -0.502  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -4.247  -6.589  -1.181  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -3.983  -3.907  -1.026  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -3.461  -2.733  -0.479  0.00  0.00    +0.015 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -0.974   5.513   2.719  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -0.545   4.855   1.534  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  C   LIG    1        0.642   1.017  -2.253  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.020   1.486  -1.840  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        2.974   0.652  -1.232  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        4.262   1.126  -0.951  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.603   2.447  -1.230  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.667   3.293  -1.816  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.394   2.813  -2.130  0.00  0.00    +0.007 A 
BRANCH  24  29
ATOM     29  O   LIG    1        2.671  -0.664  -0.997  0.00  0.00    -0.481 OA
BRANCH  29  30
ATOM     30  C   LIG    1        2.710  -0.966   0.401  0.00  0.00    +0.349 C 
BRANCH  30  31
ATOM     31  C   LIG    1        2.263  -2.396   0.614  0.00  0.00    +0.343 C 
ATOM     32  O   LIG    1        1.310  -2.774   1.278  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        3.058  -3.300  -0.000  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        2.656  -4.166   0.218  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8