@<TRIPOS>MOLECULE
BindingDB_14027
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.0568    9.9784    1.7825  C     
2    N        11.8392    8.5207    1.6368  N     
3    C        10.5916    7.9684    2.2026  C     
4    C        10.4690    8.1397    3.7347  C     
5    N        10.1142    9.4963    4.1090  N     
6    C        11.1006   10.5572    4.1368  C     
7    C        12.3597   10.4145    3.2418  C     
8    C         5.1595   10.6089    1.7703  C     
9    C         6.5008   10.6297    1.3790  C     
10   C         7.5119   10.3857    2.3195  C     
11   C         7.2107   10.1185    3.6716  C     
12   C         4.8201   10.3300    3.1110  C     
13   C         5.8422   10.0978    4.0863  C     
14   C         5.4255    9.8665    5.4265  C     
15   C         4.0582    9.8489    5.7525  C     
16   N         3.1338   10.0461    4.7866  N     
17   C         3.4622   10.2852    3.4971  C     
18   S         8.5696    9.8385    4.7421  S     
19   O         8.1520    8.7140    5.7854  O     
20   O         8.7029   11.1093    5.6873  O     
21   H        12.9070   10.2431    1.1527  H     
22   H        11.1984   10.5249    1.3894  H     
23   H        11.8604    8.3184    0.6304  H     
24   H        12.6275    8.0416    2.0796  H     
25   H         9.7194    8.4010    1.7023  H     
26   H        10.6072    6.8938    1.9756  H     
27   H         9.7348    7.4100    4.0881  H     
28   H        11.4199    7.8656    4.2090  H     
29   H        10.6194   11.4941    3.8407  H     
30   H        11.4407   10.6892    5.1673  H     
31   H        13.0530    9.6972    3.6904  H     
32   H        12.8760   11.3810    3.2133  H     
33   H         4.4370   10.7961    1.0703  H     
34   H         6.7426   10.8307    0.4040  H     
35   H         8.4760   10.4033    1.9956  H     
36   H         6.0941    9.7368    6.1857  H     
37   H         3.7546    9.6914    6.7168  H     
38   H         2.7129   10.4383    2.8192  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    5   18 1
     8    6    7 1
     9    8    9 2
    10    8   12 1
    11    9   10 1
    12   10   11 2
    13   11   13 1
    14   11   18 1
    15   12   13 2
    16   12   17 1
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   16   17 2
    21   18   19 2
    22   18   20 2
    23    1   21 1
    24    1   22 1
    25    2   23 1
    26    2   24 1
    27    3   25 1
    28    3   26 1
    29    4   27 1
    30    4   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    9   34 1
    37   10   35 1
    38   14   36 1
    39   15   37 1
    40   17   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4477
  Crash		| -0.7909
  Polar		| 2.9663
  FragIndex	| 1
  FragRMSD	| 0.941