@<TRIPOS>MOLECULE
BindingDB_12128
 55 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.3570   -2.2277    9.3559  C     
2    C        18.7109   -1.0150    9.0996  C     
3    N        19.6330   -0.1814    8.5573  N     
4    C        20.8156   -0.8009    8.4474  C     
5    C        20.6694   -2.0948    8.9371  C     
6    C        22.0526   -0.3579    7.9497  C     
7    C        23.1268   -1.2750    7.8902  C     
8    C        21.7323   -3.0059    8.9195  C     
9    C        17.3875   -0.6702    9.3237  C     
10   C        16.4460   -1.2493   10.1465  C     
11   C        14.1154   -0.7287   10.6696  C     
12   C        15.3055   -0.4822    9.9703  C     
13   C        16.4165   -2.3144   11.0696  C     
14   C        15.2284   -2.5823   11.7800  C     
15   C        14.0500   -1.8013   11.6006  C     
16   N        16.8372    0.3414    8.7500  N     
17   N        15.6254    0.4742    9.0957  N     
18   C        22.9686   -2.6114    8.3438  C     
19   C        24.0476   -3.6205    8.1698  C     
20   C        22.7051   -5.3605    4.9334  C     
21   C        24.6149   -6.7212    5.8935  C     
22   C        24.5335   -5.8516    7.1757  C     
23   C        22.6389   -4.5431    6.2469  C     
24   N        23.9724   -4.4832    6.9309  N     
25   C        23.2455   -6.7901    5.1838  C     
26   C        11.6842   -1.4826   12.2184  C     
27   C        11.5909   -3.0057   13.7967  C     
28   C        10.8306   -2.0568   13.1445  C     
29   N        12.8997   -2.0717   12.3246  N     
30   N        12.8247   -2.9760   13.2662  N     
31   H        18.9539   -3.0860    9.7308  H     
32   H        19.4671    0.7366    8.3042  H     
33   H        22.1657    0.5984    7.6130  H     
34   H        24.0194   -0.9687    7.4999  H     
35   H        21.5930   -3.9526    9.2840  H     
36   H        13.3216   -0.1107   10.5026  H     
37   H        17.2420   -2.8866   11.2431  H     
38   H        15.2339   -3.3630   12.4416  H     
39   H        15.0345    1.1910    8.8117  H     
40   H        25.0159   -3.1119    8.1426  H     
41   H        24.0688   -4.2356    9.0734  H     
42   H        21.7117   -5.4168    4.4907  H     
43   H        23.3729   -4.8418    4.2374  H     
44   H        25.3560   -6.2909    5.2131  H     
45   H        24.9414   -7.7331    6.1542  H     
46   H        23.9198   -6.3788    7.9131  H     
47   H        25.5474   -5.7684    7.5805  H     
48   H        22.3160   -3.5384    5.9682  H     
49   H        21.8813   -4.9725    6.9039  H     
50   H        24.5942   -4.0450    6.2443  H     
51   H        22.5362   -7.3525    5.7968  H     
52   H        23.3529   -7.3074    4.2271  H     
53   H        11.4046   -0.7401   11.5754  H     
54   H        11.2736   -3.6188   14.5501  H     
55   H         9.8491   -1.8270   13.3099  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   29 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   28 2
    32   26   29 1
    33   27   28 1
    34   27   30 2
    35   29   30 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   25   51 1
    57   25   52 1
    58   26   53 1
    59   27   54 1
    60   28   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9284
  Crash		| -0.6381
  Polar		| 1.9839
  FragIndex	| 1
  FragRMSD	| 0.951