REMARK  Name = BDB025601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245  -1.383  -0.830  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.424   1.280  -0.036  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.336   0.542  -0.679  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.747  -0.528  -0.037  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -1.003  -0.751   1.149  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -1.041   1.089  -1.998  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -1.490   2.544  -1.871  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -2.710   2.473  -0.960  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -5.805   0.100   1.262  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -4.606   0.858   1.000  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -4.267   1.460   1.739  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.693   0.409   0.063  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -3.906  -0.548  -0.679  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -0.484   3.337  -1.239  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -0.026   2.785  -0.581  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.583  -0.818  -0.718  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.347  -0.699  -1.822  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.484  -0.119  -1.459  0.00  0.00    -0.128 NA
ATOM     19  C   LIG    1        3.426   0.121  -0.115  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        2.220  -0.310   0.378  0.00  0.00    +0.141 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.557   0.781   0.699  0.00  0.00    +0.068 A 
ATOM     22  N   LIG    1        4.537   1.029   2.046  0.00  0.00    -0.359 N 
ATOM     23  H   LIG    1        3.774   0.801   2.668  0.00  0.00    +0.165 HD
ATOM     24  C   LIG    1        5.714   1.627   2.418  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        6.496   1.760   1.291  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        5.764   1.223   0.203  0.00  0.00    +0.029 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1        0.209  -2.902  -0.513  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -1.184  -3.483  -0.783  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        0.679  -3.305   0.887  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6