REMARK  Name = BDB065232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.579  -0.591   0.741  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.621  -1.613   0.824  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.328  -1.369   0.361  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.971  -0.109  -0.184  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.926   0.911  -0.240  0.00  0.00    +0.080 A 
ATOM      6  N   LIG    1       -3.652   2.128  -0.716  0.00  0.00    -0.230 NA
ATOM      7  C   LIG    1       -2.396   2.358  -1.143  0.00  0.00    +0.145 A 
ATOM      8  N   LIG    1       -1.412   1.447  -1.149  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1       -1.696   0.221  -0.681  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -5.212   0.653   0.216  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -7.831   0.111   1.139  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -6.834  -0.899   1.204  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -5.045  -2.803   1.358  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -4.065  -3.800   1.609  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   9  15
ATOM     15  N   LIG    1       -0.687  -0.770  -0.694  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -1.042  -1.541  -1.255  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        0.655  -0.346  -1.134  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1        1.493  -1.592  -1.480  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        2.352  -2.036  -0.299  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        3.311  -1.015   0.142  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        2.856   0.361  -0.115  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        1.337   0.492  -0.038  0.00  0.00    +0.037 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.660  -1.257  -0.396  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.730  -0.386   0.230  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        6.510   0.469  -0.562  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        7.503   1.261   0.018  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.728   1.206   1.392  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.960   0.359   2.189  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.968  -0.434   1.611  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   9  15
BRANCH   7  30
ATOM     30  C   LIG    1       -2.079   3.749  -1.671  0.00  0.00    +0.154 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.677   4.840  -0.877  0.00  0.00    -0.324 NA
ATOM     32  H   LIG    1       -3.672   4.617  -0.788  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -2.317   4.762   0.074  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   7  30
TORSDOF 8