REMARK  Name = BDB060670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210   1.609  -0.763  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.586   1.253  -0.872  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.156   2.162  -1.752  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        4.495   2.122  -2.106  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        5.230   1.094  -1.510  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.609   0.201  -0.628  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1        2.228   3.055  -2.184  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        3.297   0.253  -0.291  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1        1.057   2.718  -1.578  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.240   0.493   0.340  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1       -1.197   1.057  -0.418  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.136   1.021   0.026  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        0.418   0.401   1.248  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -0.605  -0.162   2.012  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.924  -0.115   1.562  0.00  0.00    +0.004 A 
BRANCH  10  20
ATOM     16  C   LIG    1       -7.589  -0.761   0.021  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -6.387  -0.345   0.739  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.278  -1.290   0.559  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -4.247  -0.853  -0.481  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -3.666   0.544  -0.183  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -4.587   1.368   0.733  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -6.049   1.050   0.429  0.00  0.00    +0.084 C 
ENDBRANCH  10  20
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        5.344  -0.881   0.011  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.700  -1.131  -0.068  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        6.931  -2.242   0.695  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.198  -2.892   0.924  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.823  -2.738   1.270  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.860  -1.909   0.854  0.00  0.00    +0.144 A 
ENDBRANCH   6  23
TORSDOF 3