REMARK  Name = BDB058232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.544  -0.644   0.526  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.219   0.311   1.695  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -0.896  -0.207   2.613  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -1.947  -1.051   1.878  0.00  0.00    +0.072 C 
ATOM      5  C   LIG    1       -1.285  -2.274   1.212  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1        0.206  -2.096   0.892  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.973   0.710  -0.564  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        4.635   0.519  -0.297  0.00  0.00    -0.265 N 
ATOM      9  C   LIG    1        3.584   0.834  -1.263  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        2.174   0.783  -0.647  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        1.913  -0.506   0.006  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1        3.000  -0.938   0.904  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        4.208   0.018   1.001  0.00  0.00    +0.126 C 
ATOM     14  O   LIG    1        6.872   0.496   0.241  0.00  0.00    -0.226 OA
BRANCH   7  16
ATOM     15  C   LIG    1        7.559   1.372  -2.154  0.00  0.00    +0.282 C 
ATOM     16  O   LIG    1        6.184   1.167  -1.829  0.00  0.00    -0.454 OA
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   4  17
ATOM     17  N   LIG    1       -2.611  -0.197   0.878  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -2.772   0.740   1.241  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.849  -0.658   0.371  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1       -4.482   0.077  -0.649  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -5.715  -0.428  -1.086  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1       -6.397   0.253  -2.087  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.886   1.416  -2.674  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.656   1.917  -2.257  0.00  0.00    +0.053 A 
ATOM     25  N   LIG    1       -6.259  -1.538  -0.583  0.00  0.00    -0.235 NA
ATOM     26  C   LIG    1       -5.559  -2.169   0.366  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1       -3.956   1.251  -1.250  0.00  0.00    +0.032 A 
ATOM     28  N   LIG    1       -4.382  -1.785   0.869  0.00  0.00    -0.220 NA
BRANCH  24  29
ATOM     29  C   LIG    1       -4.112   3.102  -2.855  0.00  0.00    +0.099 C 
ATOM     30  N   LIG    1       -3.669   4.063  -3.331  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5