REMARK  Name = BDB036243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.093  -1.238  -0.105  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        1.596   0.095   0.330  0.00  0.00    +0.142 A 
ATOM      3  N   LIG    1        0.298   0.431   0.028  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.030   1.665   0.694  0.00  0.00    +0.154 C 
ATOM      5  C   LIG    1        1.361   2.140   1.159  0.00  0.00    +0.144 C 
ATOM      6  C   LIG    1       -0.556  -0.447  -0.585  0.00  0.00    +0.197 A 
ATOM      7  N   LIG    1       -0.169  -1.640  -0.957  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        2.300   0.975   0.999  0.00  0.00    -0.260 NA
ATOM      9  C   LIG    1        1.155  -1.980  -0.728  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.793  -3.022  -0.585  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.500  -2.478  -0.106  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.331  -2.185   1.186  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.066  -1.711   1.262  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        3.559  -1.373   2.572  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.423  -1.694   0.045  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.338  -2.203  -0.856  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.911   3.369   0.389  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        1.968   3.187  -1.130  0.00  0.00    +0.026 C 
BRANCH  17  19
ATOM     19  N   LIG    1        3.274   3.689   0.849  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1        3.837   2.843   0.706  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        3.269   3.804   1.863  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.841  -0.011  -0.762  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -1.911   0.969  -1.007  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.792  -0.812  -1.516  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.165  -0.228  -1.356  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.883  -0.335  -0.168  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.498  -0.948   1.127  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.864  -0.949   1.813  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.698   0.065   1.205  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.137   0.245  -0.033  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.735   0.954  -1.055  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.039   1.069  -2.258  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.772   0.485  -2.397  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.125   0.638  -3.562  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6