@<TRIPOS>MOLECULE
BindingDB_11400
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2927    3.7759   15.3022  C     
2    C        -3.2161    4.9835   14.6833  C     
3    N        -4.3327    5.5377   14.1346  N     
4    S        -5.7565    5.4900   15.0630  S     
5    O        -5.7674    6.5113   16.2822  O     
6    O        -7.1107    5.6022   14.2310  O     
7    C        -4.4811    3.1902   15.7187  C     
8    C        -5.6944    3.8840   15.6921  C     
9    C        -4.5937    1.8946   16.2599  C     
10   C        -5.8869    1.5411   16.6553  C     
11   S        -6.9234    2.8782   16.3443  S     
12   N        -5.6444   -1.2319   16.4610  N     
13   S        -6.3494    0.0175   17.3332  S     
14   O        -5.6651   -0.0222   18.7666  O     
15   O        -7.9266   -0.1355   17.4505  O     
16   C        -1.8855    5.5915   14.4842  C     
17   C        -4.4719    5.5871   12.6949  C     
18   C        -4.7582    4.2131   12.0401  C     
19   C        -1.2909    9.1005   16.0506  C     
20   C        -1.8814    7.6675   15.9938  C     
21   C        -2.1771    7.9409   13.5549  C     
22   C        -1.5271    9.3409   13.6545  C     
23   N        -1.6368    7.0699   14.6447  N     
24   O        -1.7666    9.9148   14.9546  O     
25   H        -2.4534    3.2910   15.5309  H     
26   H        -3.7959    1.2617   16.3621  H     
27   H        -5.3012   -2.0018   16.9404  H     
28   H        -5.3222   -1.0578   15.5630  H     
29   H        -1.2053    5.1525   15.2225  H     
30   H        -1.5064    5.2386   13.5203  H     
31   H        -5.2689    6.2853   12.4274  H     
32   H        -3.5630    5.9708   12.2278  H     
33   H        -3.9263    3.5278   12.2184  H     
34   H        -4.8867    4.3359   10.9605  H     
35   H        -5.6673    3.7716   12.4474  H     
36   H        -1.6032    9.5909   16.9741  H     
37   H        -0.1962    9.0596   16.0399  H     
38   H        -1.4052    7.0551   16.7658  H     
39   H        -2.9548    7.7230   16.2019  H     
40   H        -3.2624    8.0471   13.6387  H     
41   H        -1.9377    7.5246   12.5692  H     
42   H        -0.4493    9.2707   13.4650  H     
43   H        -1.9628    9.9953   12.8952  H     
44   H        -0.6241    7.1521   14.5264  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   23 1
    20   17   18 1
    21   19   20 1
    22   19   24 1
    23   20   23 1
    24   21   22 1
    25   21   23 1
    26   22   24 1
    27    1   25 1
    28    9   26 1
    29   12   27 1
    30   12   28 1
    31   16   29 1
    32   16   30 1
    33   17   31 1
    34   17   32 1
    35   18   33 1
    36   18   34 1
    37   18   35 1
    38   19   36 1
    39   19   37 1
    40   20   38 1
    41   20   39 1
    42   21   40 1
    43   21   41 1
    44   22   42 1
    45   22   43 1
    46   23   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2108
  Crash		| -1.7684
  Polar		| 1.7530
  FragIndex	| 1
  FragRMSD	| 0.528