REMARK  Name = BDB032280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.877  -2.397  -1.116  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.288  -1.589  -2.080  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -1.038  -1.326  -2.150  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -1.832  -1.873  -1.212  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1       -1.335  -2.696  -0.208  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.034  -2.956  -0.156  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.192  -1.581  -1.336  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -3.215  -0.985  -2.163  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.764  -0.911  -0.168  0.00  0.00    +0.106 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.231  -0.519  -0.447  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -5.365   0.648  -1.440  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -4.948   1.990  -0.830  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1       -5.622   2.308   0.435  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1       -7.006   2.732   0.231  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1       -5.516   1.211   1.404  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -5.958  -0.149   0.857  0.00  0.00    +0.020 C 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        2.361  -2.634  -1.110  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.035  -1.435  -0.633  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1        2.558  -1.032   0.170  0.00  0.00    +0.146 HD
BRANCH  18  24
ATOM     20  C   LIG    1        6.389   1.818   1.496  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        7.091   0.718   0.997  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        6.461  -0.336   0.349  0.00  0.00    +0.076 A 
ATOM     23  C   LIG    1        5.056  -0.313   0.199  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        4.432  -1.422  -0.446  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        5.256  -2.416  -0.978  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        6.622  -2.334  -0.780  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        4.354   0.814   0.693  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        7.227  -1.333  -0.117  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        5.012   1.866   1.336  0.00  0.00    +0.046 A 
BRANCH  20  31
ATOM     30  C   LIG    1        6.497   3.916   2.611  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.164   2.767   2.103  0.00  0.00    -0.495 OA
ENDBRANCH  20  31
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7