REMARK  Name = BDB032195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110  -1.991  -1.797  0.00  0.00    -0.007 A 
ATOM      2  C   LIG    1       -0.315  -1.960  -0.446  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1        0.537  -2.448   0.690  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.569  -1.400  -0.194  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.255  -1.137   1.091  0.00  0.00    +0.248 C 
ATOM      6  N   LIG    1       -3.451  -0.498   0.793  0.00  0.00    -0.282 N 
ATOM      7  C   LIG    1       -3.698  -0.442  -0.637  0.00  0.00    +0.144 C 
ATOM      8  O   LIG    1       -1.828  -1.414   2.196  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.417  -0.948  -1.210  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -2.028  -1.010  -2.535  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.758  -1.518  -2.820  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.506  -0.218   1.761  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1       -5.262  -1.496   2.153  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.436  -2.442   1.385  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.865  -1.483   3.393  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.399  -2.307   3.627  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.934  -0.444   4.291  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.630  -0.521   5.304  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.200   0.822   3.914  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.018   0.531   3.001  0.00  0.00    +0.041 C 
ENDBRANCH   6  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.473  -2.510  -2.216  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.534  -1.829  -1.530  0.00  0.00    -0.445 OA
BRANCH  22  25
ATOM     23  N   LIG    1        3.858  -0.104  -1.220  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.128  -0.735  -0.477  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        2.885  -0.617  -2.032  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        2.400  -0.114  -3.035  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     27  C   LIG    1        6.515   4.973  -1.341  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        5.814   3.646  -1.290  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        6.180   2.639  -0.387  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        7.463   2.866   0.748  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.512   1.409  -0.380  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        4.482   1.152  -1.290  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        4.120   2.147  -2.197  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        4.780   3.381  -2.199  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5