REMARK  Name = BDB007785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.517  -1.766  -1.041  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.754  -1.871  -0.514  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.858  -1.816   0.491  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.817  -2.158  -2.162  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.875  -0.976   0.438  0.00  0.00    +0.119 A 
ATOM      6  N   LIG    1        3.571  -0.114   1.428  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        2.275   0.220   1.617  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.234  -0.279   0.861  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.554  -1.175  -0.154  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.890  -1.513  -0.380  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.211  -1.308   0.171  0.00  0.00    -0.328 N 
ATOM     12  H   LIG    1        5.298  -2.316   0.081  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.209  -0.752   1.090  0.00  0.00    +0.122 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.545   0.723   0.788  0.00  0.00    +0.126 C 
BRANCH  14  17
ATOM     15  C   LIG    1        9.466   0.817   0.843  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        8.733   0.807  -0.475  0.00  0.00    +0.212 C 
ATOM     17  N   LIG    1        7.348   0.911  -0.434  0.00  0.00    -0.303 N 
ATOM     18  C   LIG    1        6.633   0.843  -1.699  0.00  0.00    +0.132 C 
ATOM     19  O   LIG    1        9.367   0.722  -1.528  0.00  0.00    -0.276 OA
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  C   LIG    1       -1.805  -2.541  -1.261  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.215  -2.216  -0.739  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.143  -3.146  -1.313  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.924  -4.029  -0.969  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.627  -0.770  -1.111  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.636  -0.171  -0.204  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.808   1.258  -0.551  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.914   1.949   0.216  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.954   1.208   0.802  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.988   1.870   1.477  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.004   3.263   1.548  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.986   4.002   0.950  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.917  -0.297   0.760  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.948   3.350   0.285  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.942  -0.846  -0.293  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10