@<TRIPOS>MOLECULE
BindingDB_11453
 57 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.2038  -12.8749    9.3960  C     
2    C         9.2407  -12.6502   10.3239  C     
3    C         9.7138  -11.3470   10.5858  C     
4    C         9.0604  -10.2630    9.9570  C     
5    C         8.0102  -10.4848    9.0485  C     
6    C         7.6010  -11.7934    8.7225  C     
7    N        10.7490  -11.2298   11.4610  N     
8    C        11.6067  -10.2243   11.7005  C     
9    C        12.0962   -9.4155   10.7252  C     
10   C        13.2136   -8.6024   10.9712  C     
11   C        13.1892   -9.3123   13.2106  C     
12   C        12.6805  -10.3352   14.9875  C     
13   N        13.7221   -8.5462   12.2290  N     
14   N        12.1736  -10.1562   12.9304  N     
15   N        11.8619  -10.7883   14.0232  N     
16   N        13.5243   -9.4141   14.4982  N     
17   S         6.3649  -12.0520    7.5172  S     
18   O         6.2662  -13.5925    7.1230  O     
19   O         4.9405  -11.8311    8.1933  O     
20   N        13.9228   -7.9472   10.0147  N     
21   C        13.7481   -7.9689    8.5864  C     
22   C        12.5116   -7.1359    8.1233  C     
23   C        12.2780   -7.2275    6.5907  C     
24   C        12.1892   -8.7079    6.1297  C     
25   C        13.5121   -9.4486    6.4688  C     
26   C        13.8136   -9.4190    7.9927  C     
27   N        11.8718   -8.8014    4.6987  N     
28   N         6.4607  -11.1167    6.1018  N     
29   C         6.5288   -9.6824    6.2158  C     
30   C         6.9693  -11.7319    4.9054  C     
31   H         7.9065  -13.8339    9.2113  H     
32   H         9.6745  -13.4560   10.7772  H     
33   H         9.3123   -9.2953   10.1734  H     
34   H         7.5476   -9.6713    8.6333  H     
35   H        10.9248  -12.0390   11.9675  H     
36   H        11.7624   -9.4688    9.7912  H     
37   H        12.6586  -10.6438   15.9587  H     
38   H        14.7011   -7.4609   10.3333  H     
39   H        14.6167   -7.4417    8.1820  H     
40   H        11.6067   -7.4752    8.6261  H     
41   H        12.6593   -6.0853    8.3886  H     
42   H        11.3448   -6.7127    6.3364  H     
43   H        13.0966   -6.7228    6.0638  H     
44   H        11.3694   -9.1960    6.6655  H     
45   H        13.4399  -10.4911    6.1514  H     
46   H        14.3468   -8.9914    5.9231  H     
47   H        14.8235   -9.8035    8.1535  H     
48   H        13.1216  -10.1120    8.4960  H     
49   H        10.9632   -8.3709    4.5252  H     
50   H        11.8338   -9.7864    4.4289  H     
51   H        12.5840   -8.3200    4.1485  H     
52   H         5.9598   -9.3095    7.0726  H     
53   H         6.1249   -9.1998    5.3201  H     
54   H         7.5697   -9.3667    6.3280  H     
55   H         8.0582  -11.8266    4.9701  H     
56   H         6.7254  -11.1363    4.0179  H     
57   H         6.5336  -12.7236    4.7574  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32   28   29 1
    33   28   30 1
    34    1   31 1
    35    2   32 1
    36    4   33 1
    37    5   34 1
    38    7   35 1
    39    9   36 1
    40   12   37 1
    41   20   38 1
    42   21   39 1
    43   22   40 1
    44   22   41 1
    45   23   42 1
    46   23   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   27   51 1
    55   29   52 1
    56   29   53 1
    57   29   54 1
    58   30   55 1
    59   30   56 1
    60   30   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8736
  Crash		| -1.9160
  Polar		| 3.3581
  FragIndex	| 1
  FragRMSD	| 0.739