REMARK  Name = BDB063678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.672  -1.618  -0.012  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.205  -0.740  -1.111  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.051   0.107  -0.797  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -1.155  -0.742  -0.305  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1       -0.762  -1.658   0.793  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.523  -2.443   0.429  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.440  -0.181  -0.178  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -3.603  -0.965   0.002  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1       -3.490  -2.304   0.017  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1       -4.869  -0.500   0.132  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1       -5.014   0.845   0.058  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -3.960   1.723  -0.139  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -2.671   1.200  -0.262  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -6.409   1.369   0.198  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1       -7.363   0.386   0.368  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -7.026  -0.574   0.378  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -6.642   2.572   0.164  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -8.754   0.659   0.502  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1       -9.682   0.468  -0.665  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -9.758  -0.460   0.512  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.252  -0.871   1.114  0.00  0.00    +0.119 C 
BRANCH  21  32
ATOM     22  C   LIG    1        9.548   1.554  -1.016  0.00  0.00    +0.071 C 
ATOM     23  C   LIG    1        8.229   0.927  -0.668  0.00  0.00    +0.103 A 
ATOM     24  C   LIG    1        8.101  -0.572  -0.924  0.00  0.00    +0.270 A 
ATOM     25  O   LIG    1        9.032  -1.210  -1.389  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        6.889  -1.127  -0.600  0.00  0.00    -0.319 N 
ATOM     27  H   LIG    1        6.777  -2.118  -0.763  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1        5.848  -0.357  -0.070  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1        6.046   1.017   0.134  0.00  0.00    +0.123 A 
ATOM     30  C   LIG    1        4.984   1.756   0.663  0.00  0.00    +0.151 A 
ATOM     31  C   LIG    1        3.763   1.158   0.979  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        3.571  -0.213   0.766  0.00  0.00    -0.029 A 
ATOM     33  F   LIG    1        5.118   3.074   0.880  0.00  0.00    -0.203 F 
ATOM     34  C   LIG    1        4.632  -0.970   0.243  0.00  0.00    +0.033 A 
ATOM     35  N   LIG    1        7.267   1.651  -0.177  0.00  0.00    -0.242 NA
ENDBRANCH  21  32
ENDBRANCH   1  21
TORSDOF 5