REMARK  Name = BDB012375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711  -0.212   0.921  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.934   0.439   0.737  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.155   1.370   1.717  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        1.068   1.317   2.482  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.145   0.361   2.043  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.901   0.232  -0.305  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.657  -0.695  -1.269  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.582  -0.868  -2.237  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.761  -0.155  -2.303  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.004   0.793  -1.312  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.066   0.995  -0.297  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.241   1.607  -1.298  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.533   2.452  -0.473  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.061   1.323  -2.325  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.822   1.926  -2.189  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.296  -1.171   0.081  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.940  -1.827   0.381  0.00  0.00    +0.266 C 
BRANCH  17  23
ATOM     18  C   LIG    1       -5.620   1.200  -1.376  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.417   0.440  -0.903  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -4.508  -0.419   0.198  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.399  -1.167   0.636  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -3.563  -2.074   1.825  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -2.166  -1.036  -0.037  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1       -2.097  -0.199  -1.165  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -3.207   0.531  -1.592  0.00  0.00    +0.004 A 
ENDBRANCH  17  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6