REMARK  Name = BDB013333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.006  -0.100   0.283  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.364   0.320  -0.100  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.080  -0.710  -1.024  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        0.742  -2.185  -0.734  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -0.151  -2.450   0.487  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        0.598  -2.325   1.827  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.308  -1.442   0.501  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -2.454  -1.812   0.772  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.395   1.692  -0.789  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        1.222   2.711  -0.287  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        1.271   3.958  -0.914  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.497   4.197  -2.047  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.557   5.734  -2.815  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.327   3.199  -2.561  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.376   1.950  -1.938  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.588  -0.466  -1.089  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.149   0.110  -2.242  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.519   0.368  -2.312  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.181   1.081  -3.732  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.351   0.058  -1.242  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.809  -0.513  -0.092  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.438  -0.770  -0.014  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.950   0.925   0.858  0.00  0.00    +0.105 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.701   1.935   3.110  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.968   0.807   2.401  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.339   0.876   0.147  0.00  0.00    +0.132 C 
ATOM     27  C   LIG    1       -3.965   2.254  -0.040  0.00  0.00    +0.039 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.277   0.056   0.841  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1       -3.851  -0.827   0.912  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1       -0.788  -3.870   0.392  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.168  -5.041   0.348  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        1.384  -4.976   0.407  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.482  -6.223   0.237  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -1.455  -6.142   0.213  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 9