REMARK  Name = BDB039174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.779   0.343   0.707  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.837   0.022  -0.255  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.461   0.431  -0.002  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.442  -0.180  -0.930  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.817  -1.020  -2.005  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.848  -1.586  -2.847  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.486  -1.324  -2.674  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.130  -0.480  -1.617  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.084  -0.017  -1.150  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.842   0.814  -0.075  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        0.453   0.881   0.170  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.273  -1.357  -2.212  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.068   0.087  -0.764  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.191  -0.283  -1.636  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.505   0.808   1.807  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.890   1.562   0.696  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -1.584   1.568   2.200  0.00  0.00    +0.171 C 
ATOM     18  O   LIG    1       -2.582   2.307   2.917  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1       -2.605   3.680   2.528  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -2.968   3.811   1.055  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -2.006   3.006   0.185  0.00  0.00    +0.016 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.051   0.396   1.272  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.053   0.084   0.300  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.372  -0.350  -1.740  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.872  -1.750  -1.349  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.310  -1.828   0.104  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -2.455  -2.409   1.054  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -2.815  -2.454   2.401  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.030  -1.916   2.817  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.888  -1.335   1.887  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.532  -1.290   0.538  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -3.977  -2.147  -2.304  0.00  0.00    +0.314 C 
ATOM     33  O   LIG    1       -4.751  -1.393  -2.873  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.061  -3.479  -2.491  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -4.836  -3.604  -3.079  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7