@<TRIPOS>MOLECULE
BindingDB_12029
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.4157   29.7317    9.1255  C     
2    C        25.2269   31.1324    9.0118  C     
3    C        24.1011   31.7173    9.6411  C     
4    C        23.1471   30.9239   10.2974  C     
5    C        23.3067   29.5332   10.3473  C     
6    C        24.4501   28.9421    9.7912  C     
7    N        26.5338   29.1682    8.6221  N     
8    N        26.8870   27.9259    8.7291  N     
9    C        28.0127   27.4187    8.1837  C     
10   C        28.4498   26.1145    8.3766  C     
11   C        28.9833   28.0013    7.3647  C     
12   N        27.8538   25.1436    9.0948  N     
13   N        29.0350   29.2542    6.8855  N     
14   N        29.6055   25.9573    7.7101  N     
15   N        29.9020   27.0661    7.1155  N     
16   C        26.1974   32.0340    8.3219  C     
17   O        26.7950   31.4171    7.1669  O     
18   H        23.9793   32.7306    9.6458  H     
19   H        22.3396   31.3638   10.7384  H     
20   H        22.6074   28.9560   10.8164  H     
21   H        24.5756   27.9376    9.8878  H     
22   H        28.2523   24.2580    9.1411  H     
23   H        27.0175   25.3226    9.5514  H     
24   H        29.7928   29.5366    6.3452  H     
25   H        28.3361   29.8944    7.1160  H     
26   H        30.6849   27.1978    6.5724  H     
27   H        25.7141   32.9530    7.9691  H     
28   H        27.0047   32.3051    9.0176  H     
29   H        27.0223   32.1890    6.5718  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2   16 1
     6    3    4 2
     7    4    5 1
     8    5    6 2
     9    7    8 2
    10    8    9 1
    11    9   10 1
    12    9   11 2
    13   10   12 1
    14   10   14 2
    15   11   13 1
    16   11   15 1
    17   14   15 1
    18   16   17 1
    19    3   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   12   22 1
    24   12   23 1
    25   13   24 1
    26   13   25 1
    27   15   26 1
    28   16   27 1
    29   16   28 1
    30   17   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8868
  Crash		| -1.5297
  Polar		| 1.6492
  FragIndex	| 1
  FragRMSD	| 1.345