REMARK  Name = BDB009108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.665  -1.413  -0.833  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.450  -1.281  -1.522  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.020  -0.037  -2.011  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.857   1.073  -1.862  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.081   0.944  -1.210  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.483  -0.293  -0.697  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.072  -4.362   0.706  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.881  -3.152   0.578  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        1.975  -2.697  -0.350  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.424  -3.464  -0.719  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.615  -2.241   1.469  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        3.006  -1.518   2.504  0.00  0.00    +0.025 A 
ATOM     13  I   LIG    1        0.965  -1.649   2.972  0.00  0.00    -0.043 I 
ATOM     14  C   LIG    1        3.790  -0.684   3.311  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        5.169  -0.591   3.101  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.777  -1.338   2.094  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.004  -2.170   1.285  0.00  0.00    +0.014 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -1.318   0.090  -2.702  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.192   1.204  -2.130  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.809   1.044  -0.774  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -2.632  -0.223   0.016  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -3.600  -0.341   1.197  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.694   0.975   1.959  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.176   2.103   1.046  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.525   2.083  -0.310  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -3.703   3.298  -1.145  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -4.361   4.258  -0.759  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -3.096   3.274  -2.372  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -3.207   4.095  -2.959  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.341   2.261  -2.872  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4