REMARK  Name = BDB046715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.129  -1.118  -0.886  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -3.749  -2.242  -0.147  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.405  -2.456   0.165  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.419  -1.564  -0.261  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.793  -0.444  -1.000  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.140  -0.222  -1.312  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -5.586  -0.855  -1.196  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -6.200   0.208  -0.274  0.00  0.00    +0.210 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -7.465   0.760  -0.889  0.00  0.00    +0.321 C 
ATOM     10  O   LIG    1       -8.000   0.339  -1.906  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -9.113   2.413  -0.663  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -7.896   1.842  -0.177  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -6.489  -0.378   1.084  0.00  0.00    +0.319 C 
ATOM     14  O   LIG    1       -7.571  -0.833   1.428  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.425  -0.384   1.921  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -4.585  -0.068   1.531  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.151  -1.899   0.121  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.943  -1.129  -0.377  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.260   0.041   0.554  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.325   0.837   0.037  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.612   0.503   0.357  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.578   1.388  -0.136  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        5.946   1.177   0.082  0.00  0.00    +0.034 A 
ATOM     24  N   LIG    1        6.867   2.135  -0.371  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        6.558   2.591  -1.226  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1        8.263   1.717  -0.400  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1        8.647   1.083   0.928  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1        7.800  -0.162   1.164  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1        6.341   0.089   0.875  0.00  0.00    -0.026 A 
ATOM     30  C   LIG    1        5.378  -0.808   1.357  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        4.020  -0.604   1.097  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11