REMARK  Name = BDB000481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.347  -2.264   1.399  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.736  -2.586   1.439  0.00  0.00    -0.488 OA
BRANCH   2   4
ATOM      3  C   LIG    1       -3.999  -1.945   1.277  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -2.649  -1.665   0.993  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -2.330  -0.512   0.274  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -3.335   0.366  -0.151  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -4.685   0.112   0.130  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.996  -1.057   0.848  0.00  0.00    +0.060 A 
BRANCH   7   9
ATOM      9  C   LIG    1       -5.790   1.001  -0.291  0.00  0.00    +0.109 A 
ATOM     10  S   LIG    1       -5.519   2.467  -1.156  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -7.203   2.774  -1.194  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -7.726   3.999  -1.856  0.00  0.00    +0.053 C 
ATOM     13  C   LIG    1       -7.877   1.753  -0.550  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -9.345   1.630  -0.359  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -7.063   0.754  -0.042  0.00  0.00    -0.244 NA
ENDBRANCH   7   9
BRANCH   3  17
ATOM     16  C   LIG    1       -5.592  -3.427   2.267  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.240  -3.100   1.980  0.00  0.00    -0.491 OA
ENDBRANCH   3  17
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.274  -2.766   0.097  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.768  -2.474   0.030  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.954  -1.059   0.043  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.242  -0.600  -0.001  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.390  -1.390  -0.081  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.627  -0.759  -0.122  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        6.975  -1.409  -0.173  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1        7.847  -0.237  -0.640  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        7.191   1.046  -0.081  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1        5.741   0.636  -0.075  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1        4.609   1.427   0.018  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.360   0.800   0.047  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.501   2.284  -0.914  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1        8.957   2.646  -0.797  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1        9.817   2.281  -1.583  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        9.240   3.399   0.290  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        8.465   3.621   0.840  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11