REMARK  Name = BDB032823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.042  -1.637  -1.264  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.814  -1.208  -0.238  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.056  -0.720  -0.598  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.134  -0.215   0.260  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.143   0.229  -0.583  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.871  -0.102  -1.976  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.110  -0.220   1.475  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.482  -0.642  -1.921  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.652  -1.056  -2.946  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.384  -1.548  -2.611  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.484   0.595  -0.139  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.307  -0.650   0.229  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.163  -1.744  -0.315  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.324  -0.454   1.134  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.887  -1.266   1.348  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.739   0.729   1.693  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.758   0.782   2.377  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.938   1.961   1.347  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.498   1.606   1.007  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.416  -2.161  -0.929  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.246  -1.038  -0.624  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -4.210  -0.219  -0.053  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -3.631   0.608  -0.104  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -3.532  -1.370  -0.340  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -3.959  -2.513  -0.352  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -7.796   2.897   1.202  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.343   1.499   0.898  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -6.008   1.243   0.551  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -5.562  -0.062   0.296  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -6.465  -1.121   0.400  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -7.790  -0.873   0.759  0.00  0.00    +0.043 A 
ATOM     32 CL   LIG    1       -8.899  -2.184   0.896  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1       -8.231   0.425   1.013  0.00  0.00    +0.023 A 
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5