REMARK  Name = BDB032792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.191   0.050   1.438  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.032   0.673   0.503  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.291   0.135   0.312  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.357   0.579  -0.590  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.465  -0.225  -0.341  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.119  -1.341   0.538  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.243   1.478  -1.399  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.742  -0.991   0.993  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.923  -1.627   1.907  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.643  -1.101   2.125  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.643  -0.241  -1.217  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.696  -1.263  -0.758  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.551  -2.477  -0.899  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.756  -0.777  -0.029  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.388  -1.472   0.345  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.907   0.490   0.475  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.756   0.728   1.330  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.943   1.538  -0.021  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.324   1.127  -1.349  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.202   0.579   1.671  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.049   0.024   0.662  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.041  -0.179  -0.253  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.459  -0.750  -0.852  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.348   0.406   0.768  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.772   1.145   1.642  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1        8.625   1.581   0.639  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.675   0.732  -0.156  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        6.316   0.680   0.193  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        5.410  -0.079  -0.553  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        5.875  -0.786  -1.669  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        7.225  -0.730  -2.035  0.00  0.00    +0.054 A 
ATOM     32  C   LIG    1        8.121   0.032  -1.282  0.00  0.00    +0.022 A 
BRANCH  31  33
ATOM     33  C   LIG    1        7.685  -1.454  -3.184  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1        8.051  -2.042  -4.114  0.00  0.00    -0.191 NA
ENDBRANCH  31  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6