REMARK  Name = BDB012882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.743  -0.242   2.244  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.356  -0.211   2.281  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.459  -0.135   1.131  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.845  -0.798   1.598  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.814  -0.574   3.111  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.659  -0.755   3.435  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -3.389  -0.716   3.176  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.736   0.773  -0.637  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.784   1.715  -0.658  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.026   1.433   0.412  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.273   2.070   0.644  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.390   0.297   1.075  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.541  -0.125   0.440  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.204   0.961  -1.040  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.824   0.770  -1.673  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.793  -0.504  -2.518  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.035  -0.255   0.980  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.067   0.717   0.702  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.220  -0.955   0.982  0.00  0.00    +0.224 C 
ATOM     20  O   LIG    1        3.354  -2.094   1.411  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.389  -0.193   0.413  0.00  0.00    +0.072 C 
ATOM     22  C   LIG    1        4.910   1.002   1.212  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        5.707  -0.262   1.186  0.00  0.00    +0.022 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.482  -0.162  -1.110  0.00  0.00    -0.032 A 
ATOM     25  C   LIG    1        4.076   0.956  -1.860  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.153   0.965  -3.255  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.636  -0.150  -3.933  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.039  -1.272  -3.217  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.961  -1.276  -1.823  0.00  0.00    +0.004 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5