REMARK  Name = BDB053333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.847  -0.667   0.254  0.00  0.00    +0.139 C 
ATOM      2  C   LIG    1        3.932  -1.864   0.212  0.00  0.00    +0.112 C 
ATOM      3  C   LIG    1        2.453  -1.560   0.258  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1        1.555  -2.602   0.406  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.195  -2.350   0.435  0.00  0.00    +0.092 A 
ATOM      6  N   LIG    1       -0.338  -1.099   0.320  0.00  0.00    -0.319 N 
ATOM      7  C   LIG    1        0.532  -0.035   0.123  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -0.013   1.248  -0.079  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -1.381   1.486  -0.091  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -2.256   0.420   0.137  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.646   0.722   0.101  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -4.134   2.014  -0.139  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1       -3.229   3.061  -0.353  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1       -1.862   2.788  -0.329  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -1.706  -0.881   0.385  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.946  -0.268   0.119  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        2.917   0.889  -0.052  0.00  0.00    +0.114 C 
ATOM     18  C   LIG    1        4.383   0.598   0.154  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        6.797  -1.722  -0.513  0.00  0.00    +0.276 C 
ATOM     20  O   LIG    1        6.176  -0.949   0.513  0.00  0.00    -0.496 OA
ENDBRANCH   1  20
BRANCH  13  21
ATOM     21  O   LIG    1       -3.776   4.296  -0.580  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -2.900   5.398  -0.772  0.00  0.00    +0.277 C 
ENDBRANCH  13  21
BRANCH  12  23
ATOM     23  O   LIG    1       -5.462   2.349  -0.186  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -6.432   1.338   0.046  0.00  0.00    +0.277 C 
ENDBRANCH  12  23
BRANCH  18  25
ATOM     25  O   LIG    1        5.101   1.772   0.224  0.00  0.00    -0.496 OA
ATOM     26  C   LIG    1        6.491   1.753   0.520  0.00  0.00    +0.276 C 
ENDBRANCH  18  25
BRANCH  15  27
ATOM     27  C   LIG    1       -2.654  -2.025   0.725  0.00  0.00    +0.065 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.136  -2.752  -0.523  0.00  0.00    +0.126 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.976  -3.924  -0.118  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -5.184  -3.921   0.024  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.230  -5.011   0.148  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -3.885  -5.709   0.379  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  15  27
TORSDOF 8