REMARK  Name = BDB049087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099  -0.792  -0.687  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.704   0.357   0.006  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.652   0.661   0.185  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -1.664  -0.161  -0.327  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.253  -1.313  -1.018  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.100  -1.625  -1.200  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.035   0.106  -0.166  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1       -3.439   1.087   0.841  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -4.915   0.904   1.208  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.777   0.304   0.071  0.00  0.00    +0.060 C 
ATOM     11  C   LIG    1       -5.172   0.769  -1.263  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -3.771   0.175  -1.442  0.00  0.00    +0.106 C 
BRANCH  10  13
ATOM     13  N   LIG    1       -7.215   0.658   0.187  0.00  0.00    -0.295 NA
ATOM     14  C   LIG    1       -7.745   0.508   1.564  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -9.281   0.457   1.585  0.00  0.00    +0.175 C 
ATOM     16  O   LIG    1       -9.809  -0.691   0.910  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -8.934  -1.187  -0.108  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1       -8.079  -0.088  -0.763  0.00  0.00    +0.113 C 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1        4.306   0.484  -0.604  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1        4.700  -0.698   0.169  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        3.345  -1.387   0.435  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1        2.562  -1.142  -0.888  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1        3.353  -0.020  -1.600  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1        3.464  -2.766   0.962  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1        2.196  -3.234   1.526  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1        3.988  -3.751   0.021  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1        5.424   1.207  -1.213  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1        8.219   0.340  -0.368  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        7.548   1.560   0.201  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        6.257   1.967  -0.203  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.715   3.132   0.364  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1        4.503   3.564  -0.017  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.408   3.879   1.311  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        7.675   3.473   1.713  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        8.241   2.323   1.160  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6