REMARK  Name = BDB032558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.814   0.075   0.365  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -3.479  -0.829   1.341  0.00  0.00    +0.257 C 
ATOM      3  O   LIG    1       -4.204  -1.331   2.177  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -2.053  -1.092   1.194  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -1.586  -0.300   0.162  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -0.262  -0.301  -0.233  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        0.603  -1.155   0.454  0.00  0.00    +0.166 A 
ATOM      8  O   LIG    1        1.908  -1.157   0.035  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1        2.641  -2.296   0.530  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1        2.355  -2.463   2.020  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1        0.973  -2.776   2.238  0.00  0.00    -0.482 OA
ATOM     12  C   LIG    1        0.141  -1.952   1.524  0.00  0.00    +0.198 A 
ATOM     13  C   LIG    1       -1.208  -1.927   1.888  0.00  0.00    +0.181 A 
ATOM     14  F   LIG    1       -1.659  -2.689   2.892  0.00  0.00    -0.201 F 
ATOM     15  C   LIG    1       -2.717   0.469  -0.350  0.00  0.00    +0.255 C 
ATOM     16  O   LIG    1       -2.628   1.302  -1.230  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  23
ATOM     17  O   LIG    1       -7.816   3.710  -0.581  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.024   2.806  -0.333  0.00  0.00    +0.219 C 
ATOM     19  N   LIG    1       -6.088   2.939   0.662  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1       -6.056   3.841   1.118  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1       -5.066   2.071   0.978  0.00  0.00    +0.240 C 
ATOM     22  O   LIG    1       -4.207   2.389   1.799  0.00  0.00    -0.273 OA
ATOM     23  C   LIG    1       -5.126   0.701   0.293  0.00  0.00    +0.171 C 
ATOM     24  C   LIG    1       -5.678   0.847  -1.122  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -7.060   1.479  -1.056  0.00  0.00    +0.098 C 
ENDBRANCH   1  23
BRANCH   9  26
ATOM     26  C   LIG    1        4.140  -2.060   0.295  0.00  0.00    +0.208 C 
BRANCH  26  27
ATOM     27  O   LIG    1        4.554  -2.376  -1.040  0.00  0.00    -0.371 OA
BRANCH  27  28
ATOM     28  C   LIG    1        4.192  -1.420  -2.038  0.00  0.00    +0.195 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.943  -0.120  -1.897  0.00  0.00    -0.022 A 
ATOM     30  C   LIG    1        4.253   1.092  -1.760  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        4.952   2.293  -1.633  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.346   2.294  -1.643  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.043   1.095  -1.779  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.345  -0.107  -1.906  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 5