REMARK  Name = BDB024513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.577  -1.470  -0.204  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.728  -0.459  -0.689  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.306   0.764  -1.300  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.958   0.455  -2.660  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.310   1.913  -1.526  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.340   2.014  -0.372  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.599   0.711  -0.293  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.215   0.661  -0.025  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.338   1.696   0.168  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.840   1.149   0.390  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.757  -0.231   0.339  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.561  -0.560   0.076  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.239  -1.772  -0.079  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.615  -1.714  -0.338  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.310  -0.501  -0.442  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.230  -2.506   0.355  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.862  -1.175   0.509  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.676  -2.096   1.732  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -2.146  -3.534   1.491  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -3.456  -3.613   0.705  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -3.403  -2.842  -0.627  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.169  -1.949  -0.780  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.597  -3.121   1.584  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.932  -1.951   1.683  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.189  -4.103   2.299  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.819  -4.994   2.156  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.807  -2.146   0.126  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.899  -1.166  -0.378  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.087   1.940   0.631  0.00  0.00    +0.084 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.793   2.251  -0.684  0.00  0.00    +0.103 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.062   2.978  -0.448  0.00  0.00    +0.196 A 
ATOM     32  O   LIG    1       -3.965   4.313  -0.165  0.00  0.00    -0.445 OA
ATOM     33  C   LIG    1       -5.261   4.708   0.012  0.00  0.00    +0.122 A 
ATOM     34  C   LIG    1       -5.494   6.123   0.339  0.00  0.00    +0.088 C 
ATOM     35  C   LIG    1       -6.063   3.608  -0.173  0.00  0.00    +0.155 A 
ATOM     36  N   LIG    1       -5.294   2.511  -0.467  0.00  0.00    -0.222 NA
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7