REMARK  Name = BDB045958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.662  -1.959  -0.601  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.723  -1.119   0.136  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -2.568  -0.331   0.759  0.00  0.00    -0.003 C 
ATOM      4  C   LIG    1       -3.641  -1.035   1.576  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -5.022  -0.711   1.544  0.00  0.00    -0.031 A 
ATOM      6  C   LIG    1       -5.968  -1.432   2.277  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.558  -2.503   3.067  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.208  -2.844   3.128  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.413   0.425   0.793  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -4.707   1.620   0.213  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -3.368   2.083   0.184  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1       -3.090   3.422  -0.103  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -1.772   3.874  -0.073  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -0.744   2.994   0.255  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.027   1.656   0.549  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.263  -2.119   2.392  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.345   1.157   0.514  0.00  0.00    -0.013 A 
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        0.313  -2.613  -1.231  0.00  0.00    -0.472 OA
BRANCH  18  22
ATOM     19  C   LIG    1        3.896  -0.488  -1.282  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        3.865  -1.832  -0.907  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.653  -2.528  -0.905  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.473  -1.875  -1.266  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        1.509  -0.538  -1.677  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.720   0.156  -1.673  0.00  0.00    +0.008 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.117   0.253  -1.266  0.00  0.00    +0.066 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.256   1.114  -1.267  0.00  0.00    +0.222 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.072   2.637  -1.405  0.00  0.00    +0.392 C 
ATOM     28  O   LIG    1        4.881   3.044  -1.541  0.00  0.00    -0.243 OA
ATOM     29  O   LIG    1        7.142   3.312  -1.366  0.00  0.00    -0.243 OA
ENDBRANCH  26  27
BRANCH  26  30
ATOM     30  O   LIG    1        7.564   0.662  -1.177  0.00  0.00    -0.345 OA
BRANCH  30  32
ATOM     31  C   LIG    1        7.899  -2.166  -0.767  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        7.691  -0.645  -0.990  0.00  0.00    +0.143 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 8