REMARK  Name = BDB015743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.601  -1.336   0.065  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.383  -0.255  -0.068  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.755   0.927  -0.184  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.623   1.029  -0.157  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.343  -0.136   0.027  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.737  -1.324   0.139  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.641   2.100  -0.391  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.358   3.284   0.187  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.169   4.400   0.030  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.783   5.638   0.689  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.340   4.372  -0.725  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.092   5.326  -0.900  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.673   3.064  -1.345  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.867   2.010  -1.173  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.744  -0.049   0.031  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        3.057   0.666   0.681  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.435  -1.312   0.265  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.922  -1.048   0.331  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        5.632  -0.706  -0.831  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        7.002  -0.449  -0.775  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        7.677  -0.527   0.442  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.982  -0.860   1.604  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.611  -1.117   1.550  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  24
ATOM     24  O   LIG    1       -1.183  -2.588   0.221  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.172  -3.080   2.197  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.490  -2.976   0.734  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.485  -2.705  -0.206  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.795  -2.626  -1.566  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.830  -2.412  -2.472  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -4.106  -2.776  -2.005  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.117  -3.019  -1.078  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.811  -3.120   0.283  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6