REMARK  Name = BDB027609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.786  -1.095  -1.115  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        3.082  -1.497  -1.484  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        4.018  -0.470  -1.611  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        5.303  -0.856  -1.962  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        5.722  -2.127  -2.195  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        4.792  -3.090  -2.084  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.717   0.821  -1.415  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.446   1.112  -1.102  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        3.479  -2.832  -1.736  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.476   0.197  -0.942  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.093   2.530  -0.905  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        0.764   2.937  -0.710  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        0.481   4.281  -0.526  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        1.417   5.250  -0.520  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.692   4.857  -0.713  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.070   3.537  -0.906  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.794  -2.072  -0.939  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1        1.141  -2.773  -0.288  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.618  -1.725  -0.649  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -1.365  -3.078  -0.554  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1       -1.250  -0.944  -1.814  0.00  0.00    +0.033 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -0.778  -0.971   0.700  0.00  0.00    +0.185 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.160  -0.851   1.061  0.00  0.00    -0.375 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.322  -0.147   2.302  0.00  0.00    +0.194 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.582   0.726   1.538  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -3.826  -0.044   2.622  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1       -4.041   0.602   3.988  0.00  0.00    +0.043 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.368  -1.371   2.674  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1       -4.042  -1.815   1.867  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8