REMARK  Name = BDB033106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.717  -1.324   1.030  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.556  -0.473   0.968  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.610  -1.426   1.226  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.210  -2.724   0.965  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.909  -3.724   0.992  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.243  -2.700   0.565  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.381   0.417   0.504  0.00  0.00    +0.246 C 
ATOM      8  N   LIG    1       -1.828  -0.825   0.232  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -2.432  -1.517  -0.193  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.911   1.156   1.363  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.502   1.776   0.251  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.621   0.790  -0.256  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -3.926   0.141  -1.463  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -5.098   0.455  -2.141  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1       -5.379  -0.175  -3.289  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.973   1.414  -1.657  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.665   2.085  -0.474  0.00  0.00    +0.026 A 
BRANCH  11  18
ATOM     18  N   LIG    1       -4.180   2.597   1.341  0.00  0.00    -0.357 N 
ATOM     19  H   LIG    1       -4.955   2.920   1.907  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1       -3.377   2.264   1.884  0.00  0.00    +0.142 HD
ENDBRANCH  11  18
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.992  -1.031   1.426  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.653  -0.567   0.141  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        3.970   0.788  -0.113  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        4.569   1.131  -1.342  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.852   0.159  -2.301  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.546  -1.172  -2.049  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.954  -1.532  -0.840  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.701   1.879   0.900  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1        2.386   1.969   1.238  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.377   1.683   2.066  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.057   3.123   0.474  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6