REMARK  Name = BDB012860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.856   0.334  -0.553  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.871   0.297   0.422  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.532   0.406   0.041  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.307   0.226   1.353  0.00  0.00    +0.093 C 
ATOM      5  C   LIG    1        0.390  -0.697   2.151  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.000  -0.191   1.789  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.561   0.398  -1.744  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.423  -0.043   0.109  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.058   0.689   1.169  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.750   0.915   0.972  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.268   1.526   1.622  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.228   0.280  -0.118  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.316  -0.309  -0.733  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.994  -1.991  -0.052  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.853  -0.467  -0.064  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.464   0.118  -1.339  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.641  -0.322   1.190  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1        2.698  -1.285   0.891  0.00  0.00    +0.151 HD
ATOM     19  C   LIG    1        3.640   0.487   0.677  0.00  0.00    +0.304 C 
ATOM     20  N   LIG    1        4.811  -0.223   0.539  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        4.844  -1.101   1.034  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        3.450   1.665   0.412  0.00  0.00    -0.253 OA
BRANCH  20  23
ATOM     23  C   LIG    1        6.021   0.220  -0.032  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        7.133  -0.624   0.083  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        8.365  -0.259  -0.466  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        8.496   0.952  -1.139  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.394   1.795  -1.264  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.161   1.430  -0.714  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 4