REMARK  Name = BDB012326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.944  -1.490   0.749  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.384  -1.301   0.328  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.170  -1.966   1.250  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.280  -2.542   2.160  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -0.988  -2.282   1.865  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.425   0.296  -1.406  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.192  -0.154  -0.917  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.178  -0.993   0.190  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -3.339  -1.374   0.797  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -4.512  -0.926   0.306  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.609  -0.094  -0.788  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -2.432   1.562  -3.192  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -3.420   1.189  -2.588  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.654   1.573  -2.957  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -4.502   2.153  -3.732  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.690  -0.590  -0.765  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.066  -0.514  -1.150  0.00  0.00    +0.267 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.824   0.538  -0.388  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.266   1.786  -0.128  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        2.906   2.783   0.525  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1        4.166   2.531   0.934  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        4.819   1.330   0.716  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.138   0.322   0.039  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6