REMARK  Name = BDB032739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.568  -1.528   1.571  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        2.455  -0.504   1.208  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.678  -0.871   0.679  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        4.777  -0.017   0.215  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        5.807  -0.859  -0.165  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        5.410  -2.260  -0.125  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.734   1.195   0.160  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        4.051  -2.199   0.485  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        3.185  -3.221   0.825  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.939  -2.879   1.367  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        7.037  -0.446  -0.832  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.726   0.086  -2.232  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.203  -0.616  -3.098  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.012   1.404  -2.478  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.787   1.738  -3.405  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.435   2.365  -1.598  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.601   3.523  -1.974  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.660   1.948  -0.167  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.955   0.466  -0.022  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.208  -1.188   2.129  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.653  -0.902   1.025  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -2.639  -0.351   0.252  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -2.085  -0.411  -0.591  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -1.931  -0.618   1.388  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -2.324  -0.617   2.543  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -6.718   0.699  -0.294  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1       -6.211   0.455   0.992  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -4.870   0.109   1.204  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -3.995  -0.009   0.126  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1       -4.482   0.223  -1.163  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -5.823   0.568  -1.367  0.00  0.00    +0.006 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -9.096  -0.117  -0.729  0.00  0.00    +0.016 C 
ATOM     33  C   LIG    1       -8.178   1.062  -0.517  0.00  0.00    -0.007 C 
ATOM     34  C   LIG    1       -8.742   2.269   0.212  0.00  0.00    +0.012 C 
ATOM     35  C   LIG    1       -8.498   2.344  -1.265  0.00  0.00    +0.012 C 
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6