REMARK  Name = BDB060869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.773   0.381   0.161  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        2.527   1.677  -0.496  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.412   1.541  -1.557  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.111   1.113  -1.007  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.277   0.232   0.164  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.621  -0.532   0.255  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.447  -0.436   1.987  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        6.154   0.842   1.657  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.947   1.061   1.069  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.979   0.092   0.772  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.339  -1.210   1.135  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.568  -1.483   1.745  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.688   1.623   2.512  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.723   0.222   2.857  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        9.550  -0.136   3.318  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.764  -0.743   2.644  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.012  -1.895   3.011  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.738   0.551  -2.071  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.214   0.461  -1.711  0.00  0.00    +0.057 A 
ATOM     20  N   LIG    1       -2.917   1.623  -1.645  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1       -4.227   1.552  -1.312  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.892   0.367  -1.046  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -4.154  -0.811  -1.137  0.00  0.00    +0.052 A 
ATOM     24  N   LIG    1       -4.790  -2.035  -0.891  0.00  0.00    -0.322 N 
ATOM     25  H   LIG    1       -4.282  -2.906  -0.965  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.116  -2.148  -0.570  0.00  0.00    +0.252 A 
ATOM     27  C   LIG    1       -6.903  -0.878  -0.460  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -6.638  -3.243  -0.382  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -6.306   0.306  -0.684  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.804  -0.778  -1.469  0.00  0.00    +0.051 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -8.352  -1.014  -0.075  0.00  0.00    +0.074 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -9.213  -1.501  -1.234  0.00  0.00    +0.218 C 
ATOM     33  F   LIG    1       -9.283  -0.518  -2.175  0.00  0.00    -0.249 F 
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6