REMARK  Name = BDB032452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.486  -1.857   1.102  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        0.152  -2.754   2.052  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.084  -3.290   1.968  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.997  -2.974   0.974  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -1.629  -2.046  -0.006  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.356  -1.475   0.069  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.731  -1.262   1.119  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.546  -1.676   2.216  0.00  0.00    +0.234 C 
BRANCH   8  12
ATOM      9  N   LIG    1        4.973   1.192   0.335  0.00  0.00    -0.300 NA
ATOM     10  C   LIG    1        4.928   1.323   1.794  0.00  0.00    +0.085 C 
ATOM     11  C   LIG    1        3.751   0.552   2.389  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        3.906  -0.960   2.153  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        4.660  -1.247   0.842  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        4.533  -0.111  -0.175  0.00  0.00    +0.085 C 
BRANCH   9  16
ATOM     15  C   LIG    1        7.430   0.848  -0.157  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        6.197   1.754  -0.256  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        5.951   2.163  -1.713  0.00  0.00    +0.024 C 
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  18
ATOM     18  C   LIG    1       -2.591  -1.664  -1.102  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.705  -0.930  -0.518  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -3.373  -0.223   0.134  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.726  -0.404  -1.336  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -5.728   0.441  -0.760  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.769   0.958  -1.572  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -7.731   1.799  -0.969  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -7.717   2.148   0.329  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -6.732   1.635   1.086  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.807   0.611  -2.938  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.868  -0.254  -3.485  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.745   0.795   0.603  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -4.851  -0.769  -2.686  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     31  N   LIG    1       -8.800   2.341  -1.694  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -9.349   2.869  -1.018  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -9.351   1.600  -2.112  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8