@<TRIPOS>MOLECULE
BindingDB_7169
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -14.1081  204.1290  110.5927  C     
2    C       -14.3838  203.7092  111.9129  C     
3    C       -11.9991  205.1102  111.3522  C     
4    C       -12.9121  204.8264  110.3378  C     
5    C       -10.9506  205.7610  110.7079  C     
6    C       -13.4633  204.0212  112.9406  C     
7    C       -12.2767  204.7227  112.6802  C     
8    C       -13.4558  203.7530  114.3083  C     
9    N       -11.2605  205.8635  109.4020  N     
10   N       -12.4173  205.3149  109.1941  N     
11   N       -12.3064  204.2632  114.7944  N     
12   N       -11.6138  204.8339  113.8503  N     
13   C       -10.4073  205.4191  114.0982  C     
14   C        -8.1565  205.2996  115.0611  C     
15   C        -7.9172  206.6423  114.7133  C     
16   C        -8.9327  207.3680  114.0552  C     
17   C       -10.1624  206.7575  113.7489  C     
18   C        -9.3970  204.6955  114.7758  C     
19   O        -6.6331  208.8902  115.5400  O     
20   S        -6.3790  207.3903  115.0739  S     
21   O        -5.6454  206.7555  116.3326  O     
22   N        -5.3158  207.4776  113.7703  N     
23   C       -14.4051  203.1126  115.0776  C     
24   O       -15.4424  202.6890  114.5954  O     
25   N       -14.2403  202.9557  116.3734  N     
26   C        -4.3431  206.4826  113.4825  C     
27   H       -14.7588  203.9231  109.8377  H     
28   H       -15.2383  203.1817  112.1043  H     
29   H       -10.0931  206.1054  111.1350  H     
30   H       -12.8571  205.2610  108.3286  H     
31   H        -7.4440  204.7532  115.5420  H     
32   H        -8.7864  208.3514  113.7978  H     
33   H       -10.8866  207.3005  113.2728  H     
34   H        -9.5641  203.7264  115.0625  H     
35   H        -5.2949  208.2908  113.2447  H     
36   H       -14.9338  202.5339  116.9045  H     
37   H       -13.4417  203.2960  116.8052  H     
38   H        -3.5224  206.5316  114.2000  H     
39   H        -3.9514  206.6735  112.4846  H     
40   H        -4.7807  205.4840  113.4993  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    6 1
     4    3    4 2
     5    3    5 1
     6    3    7 1
     7    4   10 1
     8    5    9 2
     9    6    7 2
    10    6    8 1
    11    7   12 1
    12    8   11 2
    13    8   23 1
    14    9   10 1
    15   11   12 1
    16   12   13 1
    17   13   17 1
    18   13   18 2
    19   14   15 2
    20   14   18 1
    21   15   16 1
    22   15   20 1
    23   16   17 2
    24   19   20 2
    25   20   21 2
    26   20   22 1
    27   22   26 1
    28   23   24 2
    29   23   25 am
    30    1   27 1
    31    2   28 1
    32    5   29 1
    33   10   30 1
    34   14   31 1
    35   16   32 1
    36   17   33 1
    37   18   34 1
    38   22   35 1
    39   25   36 1
    40   25   37 1
    41   26   38 1
    42   26   39 1
    43   26   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3135
  Crash		| -0.8866
  Polar		| 5.5617
  FragIndex	| 1
  FragRMSD	| 0.168