REMARK  Name = BDB061954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.992  -0.514   0.733  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.103   0.031  -0.183  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.330  -0.017   0.061  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.969   0.417  -1.265  0.00  0.00    +0.093 C 
ATOM      5  C   LIG    1        0.906   1.333  -1.867  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.398   0.660  -1.460  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.581  -0.940   1.816  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.638  -0.955   0.631  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.301  -0.508  -0.615  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -4.918  -0.342  -1.404  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -2.990  -0.276  -0.777  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -2.438  -0.584   0.413  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -3.448  -1.018   1.320  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.613  -2.428   0.214  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.039  -1.282   1.046  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -6.943  -0.050   0.975  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.252   1.081  -1.122  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1        3.241   2.000  -0.702  0.00  0.00    +0.151 HD
ATOM     19  C   LIG    1        4.360   0.336  -0.786  0.00  0.00    +0.300 C 
ATOM     20  N   LIG    1        5.459   1.144  -0.597  0.00  0.00    -0.297 N 
ATOM     21  H   LIG    1        5.448   2.002  -1.131  0.00  0.00    +0.151 HD
ATOM     22  O   LIG    1        4.355  -0.881  -0.670  0.00  0.00    -0.253 OA
BRANCH  20  23
ATOM     23  C   LIG    1        6.743   0.591  -0.288  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        7.239   0.572   1.130  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        7.878   1.487   0.127  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 4