REMARK  Name = BDB025426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.469  -0.307   1.210  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.501  -1.175   0.449  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.170  -0.779   0.424  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -3.234  -1.704  -0.253  0.00  0.00    +0.165 C 
ATOM      5  C   LIG    1       -1.923  -1.034  -0.524  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -0.939  -1.610  -1.212  0.00  0.00    -0.165 NA
ATOM      7  N   LIG    1        0.086  -0.696  -1.200  0.00  0.00    -0.182 N 
ATOM      8  C   LIG    1       -0.307   0.487  -0.548  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1        1.313  -1.041  -1.817  0.00  0.00    +0.281 C 
ATOM     10  O   LIG    1        1.358  -2.034  -2.547  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1       -1.578   0.255  -0.076  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -2.521   1.092   0.703  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1       -3.591   0.204   1.362  0.00  0.00    +0.113 C 
ATOM     14  O   LIG    1       -5.903  -2.186  -0.128  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   9  15
ATOM     15  C   LIG    1        2.559  -0.276  -1.674  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.156  -0.089  -0.408  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.340   0.650  -0.345  0.00  0.00    +0.047 A 
ATOM     18  N   LIG    1        4.723   0.697   0.977  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1        5.555   1.161   1.315  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1        3.830   0.009   1.760  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        4.007  -0.108   3.228  0.00  0.00    +0.063 C 
ATOM     22  C   LIG    1        4.955   1.195  -1.480  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.357   0.966  -2.723  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.853  -0.492   0.925  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        3.178   0.234  -2.826  0.00  0.00    +0.014 A 
ENDBRANCH   9  15
BRANCH   8  26
ATOM     26  N   LIG    1        0.424   1.621  -0.436  0.00  0.00    -0.343 N 
ATOM     27  H   LIG    1        0.004   2.474  -0.076  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        1.276   1.802  -0.962  0.00  0.00    +0.144 HD
ENDBRANCH   8  26
TORSDOF 2