REMARK  Name = BDB007879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547   0.996  -0.352  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        1.874   0.333  -0.765  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        2.252   0.073  -1.898  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.614   0.137   0.402  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        1.985   0.762   1.537  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.514   0.752   1.160  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.169  -0.525  -0.207  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -1.907  -1.393  -0.242  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -0.883  -0.862  -1.247  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.602   0.570  -1.160  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -1.787   1.408  -1.030  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.779   0.934   0.029  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.117  -0.990   0.895  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -3.693  -1.482   1.941  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1       -8.398  -0.585   0.509  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -7.826  -1.292   1.568  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.438  -1.413   1.678  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -5.596  -0.827   0.724  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -6.170  -0.113  -0.334  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -7.564   0.005  -0.441  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1      -10.397   0.156  -0.544  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -9.763  -0.544   0.520  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1        4.038  -0.168   0.361  0.00  0.00    +0.203 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.900   1.090   0.156  0.00  0.00    +0.237 C 
ATOM     25  N   LIG    1        6.249   0.977  -0.044  0.00  0.00    -0.253 N 
ATOM     26  H   LIG    1        6.710   1.857  -0.225  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        4.431   2.234   0.175  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1        6.969  -0.183   0.026  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        8.302  -0.241  -0.216  0.00  0.00    -0.289 N 
ATOM     30  C   LIG    1        9.310   0.696  -0.642  0.00  0.00    +0.138 C 
ATOM     31  C   LIG    1       10.665   0.018  -0.401  0.00  0.00    +0.099 C 
ATOM     32  S   LIG    1       10.346  -1.793  -0.329  0.00  0.00    -0.084 S 
ATOM     33  C   LIG    1        8.677  -1.530  -0.054  0.00  0.00    +0.193 A 
ATOM     34  N   LIG    1        7.659  -2.266   0.284  0.00  0.00    -0.121 NA
ATOM     35  N   LIG    1        6.568  -1.403   0.337  0.00  0.00    -0.112 NA
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7