REMARK  Name = BDB036199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.226   0.408  -1.015  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.930   0.292  -1.932  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.935   1.458  -1.814  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.510   1.537  -0.454  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1        1.633   1.021   0.625  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.141   1.121   0.229  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.865   1.230  -0.262  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        4.687   1.915   0.658  0.00  0.00    +0.151 A 
ATOM      9 CL   LIG    1        4.118   3.263   1.575  0.00  0.00    -0.060 Cl
ATOM     10  N   LIG    1        5.987   1.643   0.911  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1        6.537   0.633   0.204  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        5.836  -0.115  -0.734  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.492   0.190  -0.960  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.980   0.338   0.478  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.317  -1.007   0.545  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.574  -1.680   0.680  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.649  -1.395   0.939  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.793   1.241   0.640  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.838  -0.907  -0.787  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.192  -0.172   0.266  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -6.926   0.148  -1.208  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -7.840   0.474  -1.951  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -5.622   0.038  -1.614  0.00  0.00    -0.317 N 
ATOM     24  H   LIG    1       -5.400   0.246  -2.580  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.608  -0.339  -0.727  0.00  0.00    +0.104 A 
ATOM     26  C   LIG    1       -4.934  -0.614   0.605  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1       -3.916  -0.994   1.481  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -2.591  -1.095   1.039  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.262  -0.814  -0.296  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.288  -0.441  -1.170  0.00  0.00    +0.153 A 
ATOM     31  F   LIG    1       -3.013  -0.192  -2.461  0.00  0.00    -0.203 F 
ATOM     32  N   LIG    1       -6.250  -0.526   1.092  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1       -8.852  -0.372   2.182  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -8.634  -0.052   0.714  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5