REMARK  Name = BDB062213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.029   0.254  -3.823  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.890   0.276  -2.617  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.892  -0.001  -1.552  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.153  -0.345  -1.842  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        2.310   0.187  -0.316  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        1.077   0.515  -0.575  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        0.781   0.576  -1.897  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.085   0.887  -2.300  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        5.232  -0.622  -0.882  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        6.545  -0.276  -1.233  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1        7.598  -0.555  -0.363  0.00  0.00    +0.170 A 
ATOM     12  O   LIG    1        8.870  -0.188  -0.746  0.00  0.00    -0.457 OA
ATOM     13  C   LIG    1        9.866  -0.490   0.155  0.00  0.00    +0.233 C 
ATOM     14  C   LIG    1        9.636  -1.097   1.321  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        8.379  -1.479   1.736  0.00  0.00    -0.457 OA
ATOM     16  C   LIG    1        7.358  -1.191   0.859  0.00  0.00    +0.170 A 
ATOM     17  C   LIG    1        6.064  -1.554   1.214  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        5.007  -1.274   0.342  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1        0.170   0.823   0.390  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        0.565   0.849   1.323  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.224   0.654   0.380  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -1.903  -0.164  -0.522  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.304  -0.253  -0.508  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -4.090   0.470   0.401  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -3.393   1.294   1.295  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1       -1.993   1.387   1.287  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1       -5.472   0.390   0.410  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1       -6.227  -0.205  -0.705  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -7.685   0.309  -0.711  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -8.453   0.052   0.523  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1       -9.073   0.846   0.682  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -7.561  -0.116   1.683  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1       -6.240   0.687   1.633  0.00  0.00    +0.120 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4