REMARK  Name = BDB020599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.144  -0.397   0.508  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.256  -0.543  -0.448  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1        0.983  -1.427  -1.639  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.414   0.141  -0.215  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        2.461   1.004   0.915  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        1.402   1.166   1.806  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        1.757   2.080   2.773  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        3.069   2.506   2.485  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.476   1.839   1.351  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        0.223   0.411   1.583  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.227  -0.380   0.151  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1       -2.068   0.589  -0.101  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -1.126  -1.172   0.372  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1       -1.144  -2.396   0.416  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -3.491  -0.960  -0.241  0.00  0.00    +0.145 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -7.874   2.622   1.091  0.00  0.00    +0.063 C 
ATOM     17  C   LIG    1       -6.751   1.664   0.843  0.00  0.00    +0.016 A 
ATOM     18  N   LIG    1       -6.034   1.826  -0.316  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -6.263   2.576  -0.957  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -4.966   1.048  -0.686  0.00  0.00    +0.254 A 
ATOM     21  O   LIG    1       -4.335   1.279  -1.714  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -4.603  -0.076   0.236  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -5.312  -0.228   1.378  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -5.053  -1.284   2.418  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.413   0.674   1.683  0.00  0.00    +0.024 A 
ENDBRANCH  15  22
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        3.680   0.035  -1.063  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        3.632   1.022  -2.228  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1        3.857  -1.278  -1.615  0.00  0.00    -0.364 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.416  -2.216  -0.685  0.00  0.00    +0.223 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.910  -2.084  -0.700  0.00  0.00    +0.104 A 
ATOM     31  S   LIG    1        6.832  -2.777  -1.979  0.00  0.00    -0.078 S 
ATOM     32  C   LIG    1        8.266  -2.188  -1.251  0.00  0.00    +0.066 A 
ATOM     33  C   LIG    1        7.954  -1.508  -0.095  0.00  0.00    +0.119 A 
ATOM     34  N   LIG    1        6.611  -1.451   0.222  0.00  0.00    -0.250 NA
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  26
TORSDOF 7