REMARK  Name = BDB017288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585  -0.029  -0.629  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.577  -0.559  -1.463  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.931  -0.566  -1.087  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.332  -0.021   0.156  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -4.722  -0.039   0.498  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.660  -0.632  -0.379  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -5.235  -1.159  -1.596  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.312   0.502   0.985  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.886  -1.120  -1.946  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.963   0.498   0.603  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.835  -0.064  -1.108  0.00  0.00    +0.168 C 
ATOM     12  O   LIG    1        1.075  -0.590  -2.195  0.00  0.00    -0.292 OA
BRANCH  11  15
ATOM     13  N   LIG    1        4.418   0.400   0.231  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        3.308  -0.051  -0.633  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1        1.944   0.560  -0.261  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        1.995   2.106  -0.345  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1        1.623   2.679  -1.717  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1        3.384   2.637   0.065  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        4.136   1.647   0.950  0.00  0.00    +0.084 C 
BRANCH  13  20
ATOM     20  C   LIG    1        4.907  -0.640   1.146  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.262  -2.752   1.388  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        5.713  -1.720   0.414  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  O   LIG    1       -6.962  -0.637   0.049  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -7.908  -1.365  -0.726  0.00  0.00    +0.277 C 
ENDBRANCH   6  23
BRANCH   5  25
ATOM     25  C   LIG    1       -5.217   0.538   1.814  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.086  -0.411   2.930  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1       -4.966  -1.133   3.831  0.00  0.00    -0.196 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7