REMARK  Name = BDB012484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.107  -1.013  -0.107  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        5.433   0.196  -0.304  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        4.082   0.288   0.070  0.00  0.00    +0.094 A 
ATOM      4  N   LIG    1        3.219   1.347  -0.055  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        2.096   0.962   0.506  0.00  0.00    +0.203 A 
ATOM      6  N   LIG    1        0.976   1.755   0.545  0.00  0.00    -0.252 N 
ATOM      7  H   LIG    1        1.009   2.586  -0.031  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        0.100   1.745   1.606  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.316   1.280   2.719  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.221   2.351   1.318  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -1.895   2.004   0.140  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -3.212   2.435  -0.079  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -3.828   3.244   0.886  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.147   3.604   2.054  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.976   1.943  -1.288  0.00  0.00    +0.182 C 
ATOM     16  N   LIG    1       -4.510   0.598  -1.078  0.00  0.00    -0.222 N 
ATOM     17  N   LIG    1       -3.607  -0.448  -1.198  0.00  0.00    -0.130 NA
ATOM     18  C   LIG    1       -4.044  -1.628  -0.916  0.00  0.00    +0.233 A 
ATOM     19  C   LIG    1       -5.403  -1.979  -0.511  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1       -6.254  -0.958  -0.389  0.00  0.00    +0.077 A 
ATOM     21  O   LIG    1       -3.274  -2.746  -0.936  0.00  0.00    -0.475 OA
ATOM     22  C   LIG    1       -1.875  -2.572  -1.250  0.00  0.00    +0.233 C 
ATOM     23  C   LIG    1       -1.103  -2.174   0.009  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1        0.337  -1.732  -0.278  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1        1.012  -1.266   1.034  0.00  0.00    +0.156 C 
ATOM     26  C   LIG    1       -5.822   0.436  -0.652  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -6.630   1.347  -0.488  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -1.849   3.144   2.280  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        2.147  -0.383   0.833  0.00  0.00    -0.309 N 
ATOM     30  C   LIG    1        3.441  -0.815   0.624  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        4.087  -2.040   0.818  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1        5.435  -2.109   0.444  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  34
ATOM     33  C   LIG    1        8.167  -0.157  -0.932  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        7.420  -1.254  -0.420  0.00  0.00    -0.495 OA
ENDBRANCH   1  34
BRANCH  24  35
ATOM     35  O   LIG    1        0.273  -0.695  -1.260  0.00  0.00    -0.390 OA
ATOM     36  H   LIG    1        1.182  -0.501  -1.559  0.00  0.00    +0.210 HD
ENDBRANCH  24  35
TORSDOF 2