REMARK  Name = BDB023935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.267   0.282   0.130  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        1.096  -0.005   0.191  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        1.728   1.233   0.098  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        3.131   1.311   0.125  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        3.892   0.137   0.242  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        3.233  -1.096   0.334  0.00  0.00    +0.011 A 
ATOM      7  N   LIG    1        0.820   2.249  -0.008  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.834  -1.193   0.309  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -0.349   1.654   0.019  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.336   2.733  -1.425  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -5.907   1.500  -0.769  0.00  0.00    +0.213 C 
ATOM     12  N   LIG    1       -5.002   0.566  -0.275  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -3.565   0.871  -0.120  0.00  0.00    +0.148 C 
ATOM     14  C   LIG    1       -2.767  -0.372   0.079  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -1.374  -0.629   0.179  0.00  0.00    +0.166 A 
ATOM     16  N   LIG    1       -1.123  -1.936   0.348  0.00  0.00    -0.153 NA
ATOM     17  N   LIG    1       -2.335  -2.519   0.357  0.00  0.00    -0.269 N 
ATOM     18  C   LIG    1       -2.430  -3.950   0.513  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1       -3.344  -1.619   0.223  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -4.803  -1.890   0.206  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -5.546  -0.572   0.493  0.00  0.00    +0.114 C 
ATOM     22  O   LIG    1       -7.127   1.348  -0.702  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   5  23
ATOM     23  C   LIG    1        5.345   0.190   0.277  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.123   1.165  -0.314  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        7.421   0.831  -0.055  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        8.601   1.549  -0.470  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.552  -0.298   0.662  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.290  -0.686   0.863  0.00  0.00    +0.142 A 
ENDBRANCH   5  23
TORSDOF 2