REMARK  Name = BDB007880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.758  -2.555  -0.009  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        1.906  -1.655   0.461  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        2.189  -0.537   0.043  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.615  -2.318   1.448  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        2.015  -3.577   1.808  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        1.097  -3.905   0.646  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.717  -0.164   1.092  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -2.397  -0.478  -0.372  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -0.933  -0.885  -0.546  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.589  -2.030   0.307  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -0.832  -1.738   1.723  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.295  -1.359   1.958  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.205   0.139   1.278  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -4.948  -0.616   1.904  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1       -6.000   3.665  -0.439  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -6.779   2.586  -0.015  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -6.182   1.452   0.543  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -4.792   1.382   0.685  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -4.012   2.472   0.278  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -4.614   3.606  -0.285  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.959   5.783  -1.521  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -6.707   4.702  -0.975  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        3.652  -1.705   2.272  0.00  0.00    +0.203 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.994  -1.611   1.536  0.00  0.00    +0.237 C 
ATOM     25  N   LIG    1        4.907  -0.848   0.388  0.00  0.00    -0.253 N 
ATOM     26  H   LIG    1        3.999  -0.455   0.145  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        6.002  -2.128   2.006  0.00  0.00    -0.274 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.961  -0.681  -0.471  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        5.862   0.057  -1.604  0.00  0.00    -0.289 N 
ATOM     30  C   LIG    1        4.842   0.877  -2.204  0.00  0.00    +0.138 C 
ATOM     31  C   LIG    1        5.292   1.146  -3.644  0.00  0.00    +0.099 C 
ATOM     32  S   LIG    1        7.114   0.881  -3.689  0.00  0.00    -0.084 S 
ATOM     33  C   LIG    1        7.063  -0.000  -2.222  0.00  0.00    +0.193 A 
ATOM     34  N   LIG    1        7.896  -0.732  -1.543  0.00  0.00    -0.121 NA
ATOM     35  N   LIG    1        7.192  -1.163  -0.416  0.00  0.00    -0.112 NA
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7