REMARK  Name = BDB046631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057   0.757  -0.466  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.539  -0.673  -0.138  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.388  -1.683  -0.675  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.050  -2.636  -0.543  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.733  -1.509  -0.338  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.267  -0.246  -0.056  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.620  -0.081   0.226  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.485  -1.174   0.195  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.970  -2.420  -0.135  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        4.789  -3.477  -0.190  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        4.113   1.263   0.551  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        5.291   1.458   0.824  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        3.175   2.267   0.542  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        3.502   3.211   0.729  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.858   2.134   0.220  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        2.614  -2.592  -0.412  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        1.403   0.948  -0.061  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.926  -0.989  -0.686  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1       -2.155  -1.090  -2.070  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.431  -1.373  -2.561  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -4.482  -1.555  -1.671  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -5.706  -1.828  -2.142  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.282  -1.459  -0.300  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -3.006  -1.177   0.194  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1       -0.213   1.790   2.590  0.00  0.00    +0.174 C 
ATOM     26  N   LIG    1       -1.010   2.191   1.460  0.00  0.00    -0.251 N 
ATOM     27  C   LIG    1       -0.957   1.799   0.143  0.00  0.00    +0.138 A 
ATOM     28  N   LIG    1       -1.885   2.465  -0.523  0.00  0.00    -0.219 NA
ATOM     29  C   LIG    1       -2.482   3.235   0.426  0.00  0.00    +0.245 A 
ATOM     30  N   LIG    1       -1.998   3.086   1.658  0.00  0.00    -0.158 NA
ENDBRANCH   1  27
TORSDOF 2