REMARK  Name = BDB059472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.915   1.682  -1.169  0.00  0.00    +0.197 A 
ATOM      2  N   LIG    1       -1.740   2.386  -1.358  0.00  0.00    -0.294 N 
ATOM      3  H   LIG    1       -1.759   3.288  -1.800  0.00  0.00    +0.172 HD
ATOM      4  C   LIG    1       -0.476   1.908  -1.060  0.00  0.00    +0.264 A 
ATOM      5  O   LIG    1        0.533   2.565  -1.292  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -0.497   0.597  -0.480  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        0.463  -0.323   0.002  0.00  0.00    +0.107 A 
ATOM      8  N   LIG    1       -0.141  -1.461   0.400  0.00  0.00    -0.168 NA
ATOM      9  N   LIG    1       -1.461  -1.243   0.197  0.00  0.00    -0.243 N 
ATOM     10  C   LIG    1       -1.720  -0.013  -0.336  0.00  0.00    +0.168 A 
ATOM     11  N   LIG    1       -2.940   0.480  -0.661  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.918  -0.194   0.097  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        2.505   1.004   0.545  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.902   1.071   0.639  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        4.655  -0.039   0.292  0.00  0.00    +0.157 A 
ATOM     16  O   LIG    1        5.970   0.278   0.472  0.00  0.00    -0.425 OA
ATOM     17  C   LIG    1        5.932   1.567   0.911  0.00  0.00    +0.286 A 
ATOM     18  C   LIG    1        4.130  -1.246  -0.149  0.00  0.00    +0.049 A 
ATOM     19  N   LIG    1        4.734   2.085   1.044  0.00  0.00    -0.196 NA
ATOM     20  C   LIG    1        2.732  -1.298  -0.233  0.00  0.00    +0.014 A 
BRANCH  17  21
ATOM     21  N   LIG    1        7.111   2.131   1.181  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        7.070   2.930   1.803  0.00  0.00    +0.147 HD
ATOM     23  H   LIG    1        7.872   1.495   1.381  0.00  0.00    +0.147 HD
ENDBRANCH  17  21
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1       -5.366   1.842  -1.228  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1       -4.048   2.341  -1.555  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1       -3.991   3.348  -1.631  0.00  0.00    +0.149 HD
ENDBRANCH   1  25
BRANCH   9  27
ATOM     27  C   LIG    1       -2.435  -2.276   0.530  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.221  -3.535  -0.310  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -2.419  -2.595   2.025  0.00  0.00    +0.032 C 
ENDBRANCH   9  27
TORSDOF 4