REMARK  Name = BDB007780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.774  -2.047   0.319  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -0.254  -2.111  -0.592  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.031  -2.041  -1.578  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.595  -1.853   1.516  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        1.706  -4.187  -1.669  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1        2.564  -3.062  -1.177  0.00  0.00    -0.020 A 
ATOM      7  C   LIG    1        2.147  -2.105  -0.238  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.042  -1.141   0.231  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        4.302  -1.113  -0.325  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.735  -1.978  -1.263  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        3.865  -2.933  -1.657  0.00  0.00    +0.118 A 
BRANCH   9  12
ATOM     12  O   LIG    1        5.197  -0.191   0.161  0.00  0.00    -0.473 OA
BRANCH  12  13
ATOM     13  C   LIG    1        5.623   0.720  -0.873  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1        6.994   0.301  -1.413  0.00  0.00    +0.072 C 
ATOM     15  C   LIG    1        7.608   1.435  -2.222  0.00  0.00    +0.163 C 
ATOM     16  O   LIG    1        7.648   2.693  -1.548  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        7.068   2.711  -0.247  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.664   2.124  -0.249  0.00  0.00    +0.072 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1       -1.652  -1.947  -0.200  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.008  -0.476   0.118  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.562  -0.141   1.443  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.721  -0.622   1.603  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.541  -0.259   0.025  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.940   1.149  -0.212  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.390   1.263  -0.466  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.271   1.159   0.763  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.762   1.454   2.042  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.607   1.394   3.158  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.955   1.065   3.006  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.464   0.783   1.740  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.293   1.760   2.222  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.629   0.835   0.623  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.585   2.064   0.891  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8