REMARK  Name = BDB002798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.700   6.615  -1.776  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        0.105   5.304  -1.364  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1        0.811   4.165  -1.293  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1        0.235   2.958  -0.909  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1       -1.102   2.881  -0.569  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -1.701   1.796  -0.196  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -1.002   0.614  -0.154  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1        0.317   0.573  -0.448  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1       -1.891   4.141  -0.641  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        1.028   1.825  -0.806  0.00  0.00    +0.269 A 
ATOM     11  O   LIG    1        2.252   1.837  -0.949  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -1.300   5.280  -1.024  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.046  -0.711  -0.341  0.00  0.00    +0.122 C 
ATOM     14  N   LIG    1        1.894  -1.125  -1.218  0.00  0.00    -0.286 NA
BRANCH  14  15
ATOM     15  C   LIG    1        2.522  -2.414  -0.891  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.649  -2.307   0.102  0.00  0.00    -0.008 A 
ATOM     17  C   LIG    1        3.943  -3.366   0.955  0.00  0.00    +0.116 A 
ATOM     18  N   LIG    1        4.950  -3.363   1.859  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        5.715  -2.251   1.905  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        5.521  -1.148   1.091  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.476  -1.182   0.174  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  13
BRANCH   7  22
ATOM     22  N   LIG    1       -1.709  -0.540   0.179  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -1.358  -1.387  -0.259  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.156  -0.560   0.336  0.00  0.00    +0.138 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.591  -1.961   0.694  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.395  -2.450   1.994  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.774  -3.752   2.325  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.345  -4.579   1.360  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.535  -4.107   0.062  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.157  -2.805  -0.271  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6