REMARK  Name = BDB032347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.148   2.513   2.296  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        0.575   1.737   1.143  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1        1.337   1.417   0.013  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        0.683   0.712  -0.988  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1       -0.606   0.301  -0.927  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1       -1.344   0.578   0.166  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -0.763   1.299   1.208  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -2.660   0.144   0.175  0.00  0.00    -0.304 N 
ATOM      9  C   LIG    1       -3.001  -0.961  -0.769  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -2.380  -2.284  -0.292  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -4.486  -1.157  -0.923  0.00  0.00    +0.154 A 
ATOM     12  N   LIG    1       -5.145  -1.973  -1.718  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1       -6.491  -1.799  -1.480  0.00  0.00    -0.125 NA
ATOM     14  C   LIG    1       -6.633  -0.874  -0.547  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -5.386  -0.462  -0.166  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1       -5.009   0.541   0.802  0.00  0.00    +0.144 C 
ATOM     17  C   LIG    1       -3.572   0.340   1.303  0.00  0.00    +0.129 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -7.883  -0.333   0.033  0.00  0.00    +0.452 C 
ATOM     19  F   LIG    1       -8.000  -0.661   1.348  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1       -7.904   1.028  -0.015  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -9.008  -0.766  -0.586  0.00  0.00    -0.163 F 
ENDBRANCH  14  18
ENDBRANCH   6   8
BRANCH   3  22
ATOM     22  C   LIG    1        2.767   1.866  -0.166  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.561   0.940  -0.977  0.00  0.00    -0.339 N 
ATOM     24  H   LIG    1        4.141   1.438  -1.649  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.314  -0.034  -0.302  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.658  -0.311  -0.647  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.329  -1.305   0.068  0.00  0.00    +0.141 A 
ATOM     28  N   LIG    1        7.603  -1.400  -0.420  0.00  0.00    -0.330 N 
ATOM     29  H   LIG    1        8.298  -2.047  -0.081  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        7.758  -0.495  -1.422  0.00  0.00    +0.109 A 
ATOM     31 CL   LIG    1        9.261  -0.408  -2.201  0.00  0.00    -0.064 Cl
ATOM     32  N   LIG    1        5.848  -2.065   1.065  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1        4.555  -1.796   1.342  0.00  0.00    +0.115 A 
ATOM     34  C   LIG    1        6.591   0.199  -1.603  0.00  0.00    +0.051 A 
ATOM     35  C   LIG    1        3.772  -0.833   0.715  0.00  0.00    +0.043 A 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5