REMARK  Name = BDB034804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.091  -4.130  -0.666  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.126  -2.699  -0.745  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.068  -1.845  -0.418  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.471  -0.536  -0.674  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.622   0.534  -0.462  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.680   0.278   0.012  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.052  -1.057   0.295  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.797  -0.577  -1.138  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.185  -2.135   0.070  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.204  -1.932  -1.229  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.270  -2.348  -1.654  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        1.523   1.381   0.276  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.163   2.252  -0.104  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.934   1.454   0.412  0.00  0.00    +0.148 A 
ATOM     15  C   LIG    1        3.508   2.661   0.808  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        2.593   4.093   1.080  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        4.878   2.673   0.959  0.00  0.00    +0.139 A 
ATOM     18  N   LIG    1        5.662   1.598   0.750  0.00  0.00    -0.202 NA
ATOM     19  C   LIG    1        5.020   0.481   0.378  0.00  0.00    +0.320 A 
ATOM     20  N   LIG    1        3.698   0.363   0.203  0.00  0.00    -0.178 NA
BRANCH  19  21
ATOM     21  O   LIG    1        5.732  -0.672   0.147  0.00  0.00    -0.453 OA
BRANCH  21  22
ATOM     22  C   LIG    1        7.139  -0.514   0.354  0.00  0.00    +0.345 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.856  -1.824   0.086  0.00  0.00    +0.424 C 
ATOM     24  F   LIG    1        7.680  -2.240  -1.187  0.00  0.00    -0.167 F 
ATOM     25  F   LIG    1        7.430  -2.807   0.911  0.00  0.00    -0.167 F 
ATOM     26  F   LIG    1        9.188  -1.682   0.283  0.00  0.00    -0.167 F 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  27
ATOM     27  C   LIG    1       -3.576   0.536  -1.614  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.890   0.773  -0.859  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.804   1.350   0.570  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -4.238   0.359   1.586  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -4.038   2.672   0.630  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.149   1.623   0.999  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -6.552   2.246   0.370  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 9