REMARK  Name = BDB026445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.950  -0.754   0.149  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.608  -0.753  -0.230  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1       -0.157  -1.133  -1.298  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.140  -0.258   0.847  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -0.763   0.283   1.841  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1       -2.067  -0.446   1.556  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.942  -1.520  -0.583  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1       -7.015  -0.244  -0.157  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -5.933   0.630  -0.147  0.00  0.00    +0.115 A 
ATOM     10  N   LIG    1       -4.640   0.250  -0.265  0.00  0.00    -0.258 NA
ATOM     11  C   LIG    1       -4.380  -1.075  -0.398  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -5.401  -2.022  -0.434  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -6.724  -1.602  -0.307  0.00  0.00    +0.007 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -8.682   0.936   1.314  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -8.445   0.231  -0.024  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -8.848   1.133  -1.193  0.00  0.00    +0.012 C 
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        1.500   0.262   0.708  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.511  -0.772   0.170  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.468  -0.871  -1.258  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.526  -1.030  -1.493  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.961  -0.459   0.624  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.407   0.945   0.476  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.732   1.151   1.097  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.910   0.642   0.294  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.809   0.451  -1.097  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.924   0.011  -1.822  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        9.140  -0.214  -1.177  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        9.249  -0.007   0.196  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.487   0.656  -1.798  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        8.142   0.422   0.928  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.469   1.404  -0.925  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8