REMARK  Name = BDB007652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.122  -0.258   1.579  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.007  -1.090   0.933  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.797  -1.406  -0.004  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.404   0.342   2.610  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.717   0.358  -0.247  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.108   1.364   0.508  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.862   1.153   1.104  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        1.203  -0.068   0.932  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.813  -1.081   0.183  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        3.066  -0.866  -0.407  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.934   0.695  -0.769  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.672  -0.335  -1.425  0.00  0.00    +0.230 C 
BRANCH  12  13
ATOM     13  C   LIG    1        7.037   0.208  -1.848  0.00  0.00    +0.056 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.869   0.662  -0.640  0.00  0.00    +0.087 C 
BRANCH  14  16
ATOM     15  C   LIG    1       10.098   0.110  -1.460  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        9.196   1.180  -1.026  0.00  0.00    -0.308 NA
ATOM     17  C   LIG    1        9.797   1.899   0.101  0.00  0.00    +0.104 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -2.342  -1.379   1.452  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.294  -0.166   1.390  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.067   0.712   2.503  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.097   0.734   2.663  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -4.777  -0.601   1.443  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.204  -1.464   0.324  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.384  -0.716  -0.937  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.658   0.097  -1.033  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -7.773  -0.205  -0.231  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.950   0.543  -0.366  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -9.029   1.569  -1.306  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.933   1.859  -2.116  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.680  -1.282   0.821  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.755   1.124  -1.983  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -6.452  -2.185   0.633  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 11