REMARK  Name = BDB046626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.323   0.383  -0.000  0.00  0.00    +0.131 C 
ATOM      2  C   LIG    1        0.919  -0.529  -0.097  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.647  -1.755  -0.872  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        1.486  -2.329  -0.956  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -0.455  -2.488  -0.407  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.564  -1.863   0.173  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.699  -2.589   0.522  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.751  -3.966   0.305  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.664  -4.586  -0.294  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -1.708  -5.902  -0.536  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.853  -1.870   1.076  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -4.863  -2.467   1.430  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.733  -0.503   1.147  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.519   0.013   1.531  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -2.633   0.226   0.811  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -0.534  -3.861  -0.668  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -1.576  -0.406   0.383  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        2.091   0.191  -0.765  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        2.134   0.388  -2.158  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.203   1.065  -2.747  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.229   1.553  -1.947  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        5.253   2.206  -2.513  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.207   1.378  -0.569  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        3.140   0.699   0.022  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1       -1.231   3.336  -0.208  0.00  0.00    +0.150 C 
ATOM     26  N   LIG    1       -0.511   2.764   0.903  0.00  0.00    -0.337 N 
ATOM     27  C   LIG    1       -0.098   1.457   1.036  0.00  0.00    +0.121 A 
ATOM     28  N   LIG    1        0.533   1.291   2.187  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        0.515   2.512   2.807  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -0.122   3.443   2.025  0.00  0.00    +0.106 A 
ENDBRANCH   1  27
TORSDOF 2