REMARK  Name = BDB036242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.172  -1.380  -0.180  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        1.668  -0.030   0.194  0.00  0.00    +0.142 A 
ATOM      3  N   LIG    1        0.340   0.249  -0.023  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        0.132   1.662   0.166  0.00  0.00    +0.154 C 
ATOM      5  C   LIG    1        1.428   2.063   0.896  0.00  0.00    +0.144 C 
ATOM      6  C   LIG    1       -0.494  -0.639  -0.649  0.00  0.00    +0.197 A 
ATOM      7  N   LIG    1       -0.085  -1.822  -1.029  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        2.405   0.930   0.695  0.00  0.00    -0.260 NA
ATOM      9  C   LIG    1        1.238  -2.149  -0.775  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.854  -3.228  -0.612  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.579  -2.626  -0.155  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.452  -2.195   1.103  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.191  -1.709   1.168  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        3.729  -1.231   2.452  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.508  -1.821  -0.022  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.394  -2.428  -0.892  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        2.053   3.374   0.373  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        1.141   4.579   0.578  0.00  0.00    +0.026 C 
BRANCH  17  19
ATOM     19  N   LIG    1        3.326   3.623   1.067  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1        3.835   2.732   1.079  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        3.896   4.261   0.515  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.776  -0.213  -0.856  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -2.156   0.362  -0.116  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.759  -1.089  -1.469  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.112  -0.438  -1.424  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.922  -0.480  -0.292  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.680  -1.091   1.038  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.093  -0.997   1.614  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.810   0.056   0.929  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.146   0.176  -0.264  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.622   0.897  -1.340  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.833   0.945  -2.489  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.596   0.285  -2.522  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.862   0.368  -3.641  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6