REMARK  Name = BDB050271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.861  -1.548  -1.913  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.253  -1.071   0.482  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1        4.219  -1.948  -0.607  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.061  -2.070  -1.378  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.919  -1.322  -1.079  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.946  -0.453   0.011  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.106  -0.329   0.785  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.507  -0.924   1.312  0.00  0.00    +0.049 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.603  -0.090   0.618  0.00  0.00    +0.102 C 
BRANCH   9  11
ATOM     10  C   LIG    1        7.256   2.230  -0.223  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        6.267   1.410   0.597  0.00  0.00    +0.011 C 
ENDBRANCH   9  11
BRANCH   9  12
ATOM     12  C   LIG    1        7.900  -0.318   1.374  0.00  0.00    +0.308 C 
ATOM     13  O   LIG    1        7.994  -0.347   2.592  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.975  -0.471   0.568  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1        8.782  -0.398  -0.385  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -0.319  -0.755  -1.754  0.00  0.00    +0.244 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.280  -1.401  -0.739  0.00  0.00    +0.125 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.472  -0.586  -0.439  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.228  -1.177   0.678  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -4.385  -0.263   1.117  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -5.173   0.271  -0.053  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1       -4.687   0.161  -1.302  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -3.344  -0.437  -1.617  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -6.489   0.884   0.198  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -7.481   0.196   0.909  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -8.726   0.788   1.148  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -8.984   2.073   0.678  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1      -10.514   2.800   0.972  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -8.009   2.772  -0.030  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.766   2.179  -0.268  0.00  0.00    +0.009 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10