@<TRIPOS>MOLECULE
BindingDB_12134
 63 68 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.1010   -1.9794    9.9209  C     
2    C        19.3948   -1.1127    9.0713  C     
3    N        20.2889   -0.7067    8.1192  N     
4    C        21.4404   -1.3751    8.2266  C     
5    C        21.4417   -2.0996    9.3607  C     
6    C        22.6650   -1.3390    7.3671  C     
7    C        23.8637   -1.8036    7.9413  C     
8    C        22.5376   -2.9347    9.7142  C     
9    C        18.0582   -0.7190    9.1481  C     
10   C        17.0443   -1.1236    9.9737  C     
11   C        14.6287   -0.6291    9.9713  C     
12   C        15.9379   -0.4771    9.4434  C     
13   C        16.8673   -2.0049   11.0505  C     
14   C        15.5600   -2.1858   11.5845  C     
15   C        14.4414   -1.4752   11.0691  C     
16   N        17.5894    0.0085    8.2175  N     
17   N        16.3425    0.1805    8.3922  N     
18   C        23.8225   -2.8004    8.8682  C     
19   C        25.0461   -2.9724    9.7279  C     
20   C        26.3044    0.2762    9.7147  C     
21   C        28.0458   -1.8660    9.6947  C     
22   C        27.2501   -2.4640   10.9022  C     
23   C        25.8579   -0.4720   11.0765  C     
24   N        25.8081   -2.0443   10.8204  N     
25   C        27.8481   -0.2827    9.5750  C     
26   C        13.1169   -1.7077   11.5730  C     
27   C        12.3215   -0.7907   12.3137  C     
28   C        12.5376   -2.9331   11.2321  C     
29   C        11.3267   -3.3333   11.7716  C     
30   C        10.6273   -2.5316   12.6932  C     
31   C        11.0379   -1.1577   12.8472  C     
32   O        10.2998   -0.2413   13.6207  O     
33   C         9.1938    0.6436   13.1445  C     
34   O         9.6998   -3.3481   13.3403  O     
35   H        19.8501   -2.4057   10.7971  H     
36   H        20.0388   -0.0517    7.3988  H     
37   H        22.6841   -0.6832    6.6572  H     
38   H        23.9309   -1.0189    8.5692  H     
39   H        22.5060   -3.4000   10.6769  H     
40   H        13.8431   -0.1866    9.4952  H     
41   H        17.6509   -2.5064   11.4576  H     
42   H        15.4565   -2.8144   12.3835  H     
43   H        15.7314    0.6246    7.7900  H     
44   H        25.0965   -3.9135   10.2671  H     
45   H        25.7455   -3.2125    8.9119  H     
46   H        25.4721   -0.2532    9.3713  H     
47   H        26.3430    1.4725   10.0525  H     
48   H        29.1145   -2.1388    9.8103  H     
49   H        27.7079   -2.3511    8.7742  H     
50   H        27.3527   -3.5700   10.9351  H     
51   H        27.7349   -2.1179   11.8501  H     
52   H        26.3351   -0.2228   12.1360  H     
53   H        24.8589   -0.1029   11.3712  H     
54   H        25.4462   -2.4106   11.7208  H     
55   H        28.2009    0.0089    8.5606  H     
56   H        28.6245    0.1586   10.3442  H     
57   H        12.7334    0.1125   12.5500  H     
58   H        12.9793   -3.5548   10.5599  H     
59   H        10.9776   -4.2587   11.5312  H     
60   H         9.4339    1.0505   12.1599  H     
61   H         9.1048    1.4483   13.8969  H     
62   H         8.1327    0.3411   13.0099  H     
63   H         8.7839   -3.0062   13.3673  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   26 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 1
    32   26   28 2
    33   27   31 2
    34   28   29 1
    35   29   30 2
    36   30   31 1
    37   30   34 1
    38   31   32 1
    39   32   33 1
    40    1   35 1
    41    3   36 1
    42    6   37 1
    43    7   38 1
    44    8   39 1
    45   11   40 1
    46   13   41 1
    47   14   42 1
    48   17   43 1
    49   19   44 1
    50   19   45 1
    51   20   46 1
    52   20   47 1
    53   21   48 1
    54   21   49 1
    55   22   50 1
    56   22   51 1
    57   23   52 1
    58   23   53 1
    59   24   54 1
    60   25   55 1
    61   25   56 1
    62   27   57 1
    63   28   58 1
    64   29   59 1
    65   33   60 1
    66   33   61 1
    67   33   62 1
    68   34   63 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5077
  Crash		| -3.3002
  Polar		| 4.5529
  FragIndex	| 1
  FragRMSD	| 0.750