REMARK  Name = BDB012492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.809  -4.322  -0.129  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.638  -2.861  -0.316  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.429  -2.144  -0.317  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.007  -2.318  -0.179  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1        0.557  -1.010  -0.299  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.511   0.037  -0.487  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1        0.530  -3.400  -0.016  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.708  -0.826  -0.507  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1       -3.043  -0.665  -0.655  0.00  0.00    -0.340 N 
ATOM     10  C   LIG    1       -3.633  -1.904  -0.514  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.922  -0.707  -0.309  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.394   0.523  -0.607  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.763   0.772  -0.599  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.717  -0.183  -0.305  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.915   0.352  -0.391  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        5.765   1.674  -0.737  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        4.270  -1.500   0.022  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        5.229  -2.608   0.374  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.477   1.924  -0.856  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        3.865   3.224  -1.206  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.933  -1.727   0.017  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   6  22
ATOM     22  C   LIG    1       -0.564   1.070   0.629  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.722   2.432   0.313  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.789   3.395   1.323  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.703   3.008   2.658  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.787   4.196   3.899  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.552   1.665   2.992  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.486   0.701   1.984  0.00  0.00    +0.007 A 
ENDBRANCH   6  22
BRANCH   9  29
ATOM     29  C   LIG    1       -3.710   0.622  -0.886  0.00  0.00    +0.138 C 
ATOM     30  C   LIG    1       -4.987   0.578  -1.724  0.00  0.00    +0.187 C 
ATOM     31  O   LIG    1       -5.747   1.205  -0.659  0.00  0.00    -0.376 OA
ATOM     32  C   LIG    1       -4.634   1.042   0.257  0.00  0.00    +0.187 C 
ENDBRANCH   9  29
TORSDOF 3