@<TRIPOS>MOLECULE
BindingDB_91885
 56 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.9131    3.1168  -24.4912  C     
2    C         2.5155    3.8487  -23.1828  C     
3    C         2.2996    2.8371  -22.0279  C     
4    C         1.7842    3.5202  -20.7359  C     
5    C         2.4090    4.9224  -20.4315  C     
6    N         1.4062    6.0048  -20.6361  N     
7    C         1.7436    7.3424  -20.0710  C     
8    C         0.5593    8.2284  -20.0297  C     
9    C        -0.5542    7.8917  -19.2240  C     
10   C        -1.6448    8.7679  -19.1466  C     
11   C        -2.8901    8.5815  -18.3761  C     
12   C        -3.5869    9.8098  -18.7851  C     
13   C        -2.8548   10.5989  -19.6325  C     
14   N        -3.5841   11.6699  -19.9895  N     
15   N        -4.7452   11.5620  -19.4024  N     
16   C        -4.8245   10.4313  -18.6552  C     
17   C        -5.9485    9.9752  -17.9420  C     
18   C        -5.9931    8.6839  -17.3537  C     
19   C        -7.1313    8.2479  -16.6694  C     
20   C        -8.2662    9.0903  -16.5188  C     
21   C        -9.4150    8.6698  -15.8057  C     
22   O       -10.4443    9.5099  -15.5449  O     
23   O        -9.5199    7.4251  -15.2795  O     
24   C        -8.2158   10.3711  -17.1316  C     
25   C        -7.0818   10.8105  -17.8141  C     
26   C        -1.6397    9.9782  -19.8582  C     
27   C        -0.5555   10.3407  -20.6687  C     
28   C         0.5503    9.4716  -20.7332  C     
29   C         3.7264    5.1495  -21.2401  C     
30   C         3.5351    4.9648  -22.7746  C     
31   H         2.0982    2.4575  -24.8079  H     
32   H         3.8101    2.5154  -24.3304  H     
33   H         3.1152    3.8294  -25.2978  H     
34   H         1.5595    4.3379  -23.3665  H     
35   H         3.2508    2.3318  -21.8288  H     
36   H         1.5784    2.0793  -22.3364  H     
37   H         0.7010    3.6264  -20.8073  H     
38   H         2.0155    2.8552  -19.9006  H     
39   H         2.6766    4.9415  -19.3696  H     
40   H         0.5326    5.6903  -20.1969  H     
41   H         1.2323    6.1189  -21.6378  H     
42   H         2.5592    7.7913  -20.6508  H     
43   H         2.0952    7.2258  -19.0463  H     
44   H        -0.5665    7.0146  -18.6898  H     
45   H        -3.4357    7.6948  -18.7138  H     
46   H        -2.7030    8.5630  -17.2954  H     
47   H        -5.1939    8.0517  -17.4391  H     
48   H        -7.1238    7.3122  -16.2560  H     
49   H        -9.0266   10.9945  -17.0953  H     
50   H        -7.0835   11.7484  -18.2377  H     
51   H        -0.5539   11.2416  -21.1679  H     
52   H         1.3445    9.7341  -21.3231  H     
53   H         4.4658    4.4178  -20.8998  H     
54   H         4.1710    6.1300  -21.0237  H     
55   H         3.2112    5.9265  -23.1897  H     
56   H         4.5209    4.7611  -23.2068  H     
@<TRIPOS>BOND
     1    1    2 1
     2    2    3 1
     3    3    4 1
     4    4    5 1
     5    5    6 1
     6    6    7 1
     7    7    8 1
     8    8    9 ar
     9    9   10 ar
    10   10   11 1
    11   11   12 1
    12   12   13 ar
    13   13   14 ar
    14   14   15 ar
    15   15   16 ar
    16   12   16 ar
    17   16   17 1
    18   17   18 ar
    19   18   19 ar
    20   19   20 ar
    21   20   21 1
    22   21   22 1
    23   21   23 2
    24   20   24 ar
    25   24   25 ar
    26   17   25 ar
    27   10   26 ar
    28   13   26 1
    29   26   27 ar
    30   27   28 ar
    31    8   28 ar
    32    5   29 1
    33   29   30 1
    34    2   30 1
    35    1   31 1
    36    1   32 1
    37    1   33 1
    38    2   34 1
    39    3   35 1
    40    3   36 1
    41    4   37 1
    42    4   38 1
    43    5   39 1
    44    6   40 1
    45    6   41 1
    46    7   42 1
    47    7   43 1
    48    9   44 1
    49   11   45 1
    50   11   46 1
    51   18   47 1
    52   19   48 1
    53   24   49 1
    54   25   50 1
    55   27   51 1
    56   28   52 1
    57   29   53 1
    58   29   54 1
    59   30   55 1
    60   30   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3073
  Crash		| -0.5381
  Polar		| 4.1501
  FragIndex	| 1
  FragRMSD	| 0.772