REMARK  Name = BDB062350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.852  -0.165  -0.010  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.449   0.186  -0.007  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.304  -0.837   0.013  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.704  -0.775   0.020  0.00  0.00    -0.272 N 
ATOM      5  C   LIG    1       -3.219  -2.088   0.058  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.103  -2.949   0.058  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.137  -4.382   0.097  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.392  -2.422   0.085  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.951  -2.166   0.034  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.376  -2.445   0.032  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.288  -1.449   0.010  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.455   0.459   0.034  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.494   0.590  -1.092  0.00  0.00    +0.109 C 
ATOM     14  N   LIG    1       -5.693   1.244  -0.520  0.00  0.00    -0.303 NA
ATOM     15  C   LIG    1       -6.827   0.317  -0.513  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1       -5.332   1.644   0.850  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -4.270   0.660   1.303  0.00  0.00    +0.042 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.736   0.911  -0.026  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.193   1.762  -0.046  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        2.892   3.578   0.092  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.720   2.325  -0.021  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.130   1.043  -0.084  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.991  -0.058  -0.175  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.393   0.089  -0.217  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.972   1.368  -0.163  0.00  0.00    +0.071 A 
ATOM     26  N   LIG    1        7.303   1.561  -0.202  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        8.099   0.473  -0.295  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.626  -0.823  -0.354  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.250  -1.015  -0.314  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        5.123   2.458  -0.066  0.00  0.00    +0.033 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3