REMARK  Name = BDB055870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.562   2.213   0.221  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.068   2.386   0.012  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -0.411   3.522  -0.055  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.704   1.235  -0.037  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.139  -0.114  -0.286  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.409  -0.230  -0.143  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        2.088   1.058  -0.619  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.812  -1.170   0.591  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.838  -1.041   1.990  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.428  -2.026   2.785  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.994  -3.149   2.187  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.724  -4.361   3.166  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.975  -3.296   0.802  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.385  -2.311   0.006  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        1.964  -1.460  -0.853  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.375  -2.569  -0.094  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.863  -3.717  -0.721  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        3.355  -5.064   0.228  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        2.950  -3.780  -2.109  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.542  -2.689  -2.875  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.050  -1.539  -2.253  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.311   3.526  -0.040  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        3.177   3.779  -2.272  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        2.263   3.969  -1.483  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.112   4.573  -1.840  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        0.423   4.566  -1.131  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.134   1.418  -0.314  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.892   1.746   0.939  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.396   1.861   0.882  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.761   0.722   1.624  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7