REMARK  Name = BDB059463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.164   1.923  -0.556  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -1.059   0.532  -0.413  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1       -0.054  -0.452  -0.171  0.00  0.00    +0.104 A 
ATOM      4  N   LIG    1       -0.581  -1.684  -0.080  0.00  0.00    -0.168 NA
ATOM      5  N   LIG    1       -1.900  -1.498  -0.304  0.00  0.00    -0.243 N 
ATOM      6  C   LIG    1       -2.236  -0.189  -0.513  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1       -3.462   0.299  -0.764  0.00  0.00    -0.195 NA
ATOM      8  C   LIG    1       -3.460   1.621  -0.943  0.00  0.00    +0.215 A 
ATOM      9  N   LIG    1       -2.399   2.434  -0.843  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.384  -0.267  -0.025  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.005  -0.628   1.185  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.387  -0.436   1.302  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        4.087   0.086   0.226  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.400   0.171   0.587  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        5.412  -0.296   1.868  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.522   0.443  -0.992  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        4.250  -0.678   2.340  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        2.138   0.249  -1.096  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        6.602  -0.329   2.471  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        7.409  -0.356   1.861  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        6.664  -0.962   3.260  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   3  10
BRANCH   5  22
ATOM     22  C   LIG    1       -2.811  -2.637  -0.308  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -2.842  -3.330   1.054  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -2.468  -3.621  -1.426  0.00  0.00    +0.032 C 
ENDBRANCH   5  22
BRANCH   8  25
ATOM     25  N   LIG    1       -4.674   2.223  -1.209  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -5.426   1.659  -0.840  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -4.636   3.192  -0.924  0.00  0.00    +0.145 HD
ENDBRANCH   8  25
BRANCH   1  29
ATOM     28  C   LIG    1       -0.417   4.301  -0.051  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -0.012   2.889  -0.454  0.00  0.00    +0.053 C 
ENDBRANCH   1  29
TORSDOF 5