REMARK  Name = BDB006897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591  -1.092  -1.288  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.777  -2.103  -0.802  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.040  -2.211   0.340  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.697  -3.441   0.322  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        1.556  -3.766   1.348  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        1.783  -2.939   2.386  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        1.122  -1.749   2.408  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.363  -4.253  -0.900  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -0.141  -5.656  -0.552  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.570  -4.335  -1.843  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        0.240  -1.346   1.400  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.762  -3.393  -1.513  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.337  -1.321  -2.249  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.524   0.295  -0.630  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.540   2.571  -0.689  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.193   1.331  -1.437  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -1.486   1.652  -2.688  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.392   2.485  -3.649  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -3.033   1.585  -4.708  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -3.483   3.215  -2.951  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.187   2.508  -2.718  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.974   3.715  -1.663  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -1.467   3.146   0.273  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -0.391   2.883   2.353  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -1.321   2.323   1.435  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        1.415  -0.844   3.586  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.409   0.275   3.337  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1        3.408   0.195   2.353  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        4.325   1.239   2.175  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        4.265   2.366   3.000  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        3.299   2.445   4.002  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        2.385   1.403   4.173  0.00  0.00    +0.004 A 
BRANCH  29  33
ATOM     33  C   LIG    1        5.324   1.151   1.150  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1        6.127   1.091   0.314  0.00  0.00    -0.191 NA
ENDBRANCH  29  33
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7