REMARK  Name = BDB056648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.507   0.462  -1.130  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.069  -0.014   0.156  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.628   0.007   0.268  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.312   0.186  -1.087  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.727   1.370  -1.872  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.470   1.408  -3.231  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.248   1.083  -2.132  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.243   1.410  -3.216  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.503   0.714   1.379  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.627   0.025   2.601  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.102   0.672   3.744  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.458   2.016   3.681  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.047   2.812   5.087  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.340   2.718   2.485  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.862   2.071   1.342  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.195  -1.206   1.006  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.841  -1.029   2.242  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.353  -2.125   2.938  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.133  -1.884   4.453  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.234  -3.410   2.419  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.598  -3.601   1.194  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.083  -2.508   0.492  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.877   0.021  -1.553  0.00  0.00    +0.079 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -0.975  -2.350  -2.164  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.852  -1.169  -2.547  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.004  -0.053  -0.486  0.00  0.00    +0.053 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.171  -1.333   0.340  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -4.141  -1.115   1.498  0.00  0.00    +0.037 C 
BRANCH  27  29
ATOM     29  O   LIG    1       -3.687  -2.390  -0.466  0.00  0.00    -0.392 OA
ATOM     30  H   LIG    1       -4.585  -2.145  -0.748  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        1.929   2.721  -1.158  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        1.156   3.876  -1.756  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1        0.038   4.199  -1.385  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        1.828   4.555  -2.708  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        2.710   4.200  -2.923  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10