REMARK  Name = BDB063641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430  -0.819   0.188  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.420   0.102  -0.074  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -1.090   1.002  -0.428  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.611  -1.998   0.470  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  15
ATOM      5  C   LIG    1        7.408   0.381  -0.120  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1        6.798  -0.872  -0.040  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        5.395  -1.020   0.011  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1        4.848  -2.430   0.074  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.807  -2.645   1.173  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        2.391  -2.312   0.718  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1        2.183  -0.906   0.280  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        3.122   0.062  -0.019  0.00  0.00    +0.171 A 
ATOM     13  O   LIG    1        2.469   1.204  -0.380  0.00  0.00    -0.354 OA
ATOM     14  N   LIG    1        1.108   1.014  -0.334  0.00  0.00    -0.073 NA
ATOM     15  C   LIG    1        0.926  -0.259   0.054  0.00  0.00    +0.172 A 
ATOM     16  C   LIG    1        4.583   0.130  -0.042  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        5.215   1.387  -0.120  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.609   1.515  -0.157  0.00  0.00    +0.046 A 
BRANCH   5  20
ATOM     19  C   LIG    1        9.440   1.608  -0.242  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        8.774   0.354  -0.155  0.00  0.00    -0.495 OA
ENDBRANCH   5  20
ENDBRANCH   1  15
BRANCH   2  21
ATOM     21  C   LIG    1       -2.779  -0.040  -0.052  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -3.635   1.039  -0.644  0.00  0.00    +0.293 A 
ATOM     23  O   LIG    1       -3.158   2.066  -1.106  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1       -4.964   0.636  -0.484  0.00  0.00    -0.213 N 
ATOM     25  N   LIG    1       -4.980  -0.638   0.142  0.00  0.00    -0.282 N 
ATOM     26  C   LIG    1       -5.787  -1.644  -0.573  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1       -3.637  -0.960   0.419  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1       -3.341  -2.195   1.208  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.089   1.507  -0.463  0.00  0.00    +0.102 A 
ATOM     30  C   LIG    1       -7.253   1.232   0.275  0.00  0.00    +0.149 A 
ATOM     31  F   LIG    1       -7.359   0.134   1.039  0.00  0.00    -0.203 F 
ATOM     32  C   LIG    1       -8.345   2.103   0.276  0.00  0.00    +0.040 A 
ATOM     33  C   LIG    1       -8.300   3.280  -0.465  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -7.160   3.579  -1.202  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -6.067   2.703  -1.200  0.00  0.00    +0.031 A 
ENDBRANCH  24  29
ENDBRANCH   2  21
TORSDOF 4