REMARK  Name = BDB036212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.192  -0.938  -0.439  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -1.169   0.111  -0.230  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.125  -0.435   0.422  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.714  -1.639  -0.209  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.335  -2.517  -0.783  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.738  -2.317  -0.167  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.096  -0.143   0.782  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -5.152  -0.164   1.750  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -3.886  -0.423   1.354  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1       -2.793  -0.441   2.687  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1       -3.483  -0.660   0.028  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -4.505  -0.632  -0.930  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -5.824  -0.371  -0.561  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -9.551   1.408   0.814  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.242   0.967   0.403  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.749   1.531  -0.277  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.498   0.137   1.231  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.937  -0.336   2.273  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.717  -1.311  -1.235  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.001  -0.758  -0.659  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.577   0.398  -1.191  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        2.973   1.040  -2.204  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.775   0.905  -0.684  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1        5.433   0.257   0.371  0.00  0.00    +0.094 A 
ATOM     25  N   LIG    1        6.641   0.730   0.916  0.00  0.00    -0.207 NA
ATOM     26  C   LIG    1        7.144   1.811   0.401  0.00  0.00    +0.282 A 
ATOM     27  C   LIG    1        6.507   2.599  -0.758  0.00  0.00    +0.311 A 
ATOM     28  O   LIG    1        7.010   3.613  -1.218  0.00  0.00    -0.262 OA
ATOM     29  C   LIG    1        4.867  -0.904   0.900  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1        5.330   2.070  -1.230  0.00  0.00    -0.314 N 
ATOM     31  H   LIG    1        4.868   2.549  -1.993  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1        3.667  -1.411   0.390  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  O   LIG    1        8.292   2.379   0.820  0.00  0.00    -0.476 OA
ATOM     34  C   LIG    1        8.963   1.722   1.898  0.00  0.00    +0.279 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5