REMARK  Name = BDB060605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.026  -0.811  -0.878  0.00  0.00    +0.166 C 
ATOM      2  C   LIG    1        0.621  -1.639   0.233  0.00  0.00    +0.177 C 
ATOM      3  C   LIG    1        2.016  -1.878  -0.322  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        2.301  -0.577  -1.076  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1        1.032   0.006  -1.438  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        3.072   0.377  -0.301  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1        4.383   0.200   0.051  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1        4.719   1.339   0.764  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        6.034   1.410   1.253  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1        6.866   0.369   1.018  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        6.400  -0.678   0.301  0.00  0.00    +0.225 A 
ATOM     12  N   LIG    1        3.638   2.191   0.858  0.00  0.00    -0.231 NA
ATOM     13  N   LIG    1        5.168  -0.856  -0.223  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        2.673   1.589   0.191  0.00  0.00    +0.203 A 
BRANCH   9  15
ATOM     15  N   LIG    1        6.518   2.487   1.983  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        5.789   3.054   2.401  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        7.314   2.240   2.555  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1       -0.029  -2.879   0.487  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.270  -3.482  -0.224  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.959  -3.003  -1.225  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        2.880  -3.203  -1.484  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1       -1.155   0.129  -0.406  0.00  0.00    +0.119 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.244   0.358   0.913  0.00  0.00    +0.058 C 
ATOM     24  N   LIG    1       -2.292  -0.522   0.231  0.00  0.00    -0.297 NA
ATOM     25  C   LIG    1       -3.034  -1.448  -0.616  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -4.368  -1.639   0.091  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -4.412  -0.587   1.192  0.00  0.00    +0.020 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.669   1.682   0.237  0.00  0.00    +0.034 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.404   1.570  -1.097  0.00  0.00    +0.079 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.781   2.899  -1.577  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1       -5.413   3.340  -0.910  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -5.303   2.809  -2.447  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 9