REMARK  Name = BDB012349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.003  -0.403  -1.402  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -1.252   0.202  -1.234  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -1.484   1.140  -2.204  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -0.381   1.137  -2.947  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.567   0.208  -2.501  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.230  -0.050  -0.213  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -1.964  -0.970   0.754  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -2.900  -1.186   1.702  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -4.110  -0.524   1.748  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.373   0.418   0.756  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.425   0.663  -0.240  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.643   1.179   0.721  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -5.954   2.013  -0.108  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.469   0.857   1.732  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.253   1.428   1.583  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.421  -1.366  -0.572  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.736  -1.886  -0.769  0.00  0.00    +0.266 C 
BRANCH  17  21
ATOM     18  C   LIG    1        4.839   0.607   0.924  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        3.611   0.478   1.578  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1        2.606  -0.324   1.030  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.811  -0.996  -0.185  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        4.051  -0.872  -0.827  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        5.058  -0.072  -0.279  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        6.710   2.091   1.937  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        5.871   1.428   1.485  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7