REMARK  Name = BDB056647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.409   0.640  -1.040  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.067  -0.003   0.212  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.614  -0.174   0.353  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.351   0.079  -0.961  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.925   1.404  -1.613  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.694   1.500  -2.955  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.426   1.339  -1.917  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.012   1.907  -2.921  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.454   0.690   1.476  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.707  -0.077   2.629  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.151   0.524   3.808  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.348   1.901   3.850  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -1.898   2.643   5.302  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.107   2.680   2.722  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.663   2.078   1.542  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.018  -1.522   0.950  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.666  -1.566   2.197  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.035  -2.788   2.760  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        3.821  -2.819   4.290  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        2.769  -3.982   2.096  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.128  -3.954   0.859  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.755  -2.733   0.291  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.800   0.388  -1.532  0.00  0.00    +0.079 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.064  -1.876  -2.598  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.843  -0.579  -2.746  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.957   0.170  -0.516  0.00  0.00    +0.053 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.418  -1.254  -0.170  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -4.648  -1.207   0.736  0.00  0.00    +0.037 C 
BRANCH  27  29
ATOM     29  O   LIG    1       -2.405  -1.983   0.505  0.00  0.00    -0.392 OA
ATOM     30  H   LIG    1       -2.776  -2.850   0.744  0.00  0.00    +0.210 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1        2.267   2.631  -0.745  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        1.684   3.925  -1.248  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1        0.631   4.423  -0.886  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        2.462   4.537  -2.157  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        1.939   5.321  -2.426  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10