REMARK  Name = BDB009021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.641   0.996  -0.770  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.220  -0.109  -0.701  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.168  -0.361  -1.706  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.218   0.495  -2.812  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.364   1.594  -2.890  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.558   1.846  -1.871  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.683   3.121  -0.302  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.483   2.175   0.453  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        1.550   1.168   0.295  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.504   0.470   1.027  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.315   2.012   1.712  0.00  0.00    +0.096 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.292   0.842   1.625  0.00  0.00    +0.014 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.355   1.049   0.541  0.00  0.00    +0.043 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.354  -0.072   0.538  0.00  0.00    -0.010 A 
ATOM     15  S   LIG    1        6.064  -1.486  -0.387  0.00  0.00    -0.102 S 
ATOM     16  C   LIG    1        7.538  -2.192   0.115  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        8.241  -1.370   0.967  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        7.557  -0.144   1.211  0.00  0.00    +0.011 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.084  -1.562  -1.632  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.803  -1.702  -0.292  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.064  -0.935  -0.046  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.619  -0.004  -1.088  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -5.725   0.915  -0.559  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.693   0.155   0.339  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.961  -0.467   1.529  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.665  -1.125   1.142  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.057  -2.032   2.147  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -4.568  -2.215   3.247  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.893  -2.646   1.773  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.469  -3.279   2.442  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.263  -2.505   0.578  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7