REMARK  Name = BDB013329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.475   0.571  -1.116  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.056  -0.012   0.144  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.612  -0.028   0.299  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.337   0.254  -1.017  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.790   1.507  -1.717  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.572   1.647  -3.047  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.315   1.263  -2.042  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.139   1.685  -3.108  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.540   0.626   1.405  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.701  -0.152   2.567  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.200   0.411   3.744  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.543   1.760   3.775  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.161   2.451   5.223  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.390   2.548   2.639  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.887   1.985   1.463  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.139  -1.308   0.948  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.733  -1.249   2.221  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.208  -2.408   2.837  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        3.924  -2.311   4.398  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.102  -3.640   2.199  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.518  -3.714   0.936  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.040  -2.557   0.316  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.840   0.186  -1.611  0.00  0.00    +0.079 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -0.955  -2.147  -2.374  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.800  -0.924  -2.692  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.997   0.048  -0.585  0.00  0.00    +0.053 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.207  -1.284   0.142  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -4.221  -1.123   1.273  0.00  0.00    +0.037 C 
BRANCH  27  29
ATOM     29  O   LIG    1       -3.715  -2.255  -0.769  0.00  0.00    -0.392 OA
ATOM     30  H   LIG    1       -3.936  -3.055  -0.262  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        1.987   2.790  -0.887  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        1.250   4.005  -1.408  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1        0.129   4.319  -1.038  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        1.958   4.745  -2.284  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        2.839   4.392  -2.507  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10