@<TRIPOS>MOLECULE
BindingDB_18050
 53 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.6346   17.6761   32.9301  C     
2    N        13.7600   18.6972   33.0722  N     
3    N        13.0995   18.5581   30.8146  N     
4    C        12.9929   19.1461   32.0412  C     
5    N        15.3500   17.2844   34.0008  N     
6    N        12.0950   20.1166   32.2783  N     
7    C        13.9589   17.5253   30.6052  C     
8    C        14.7535   17.0429   31.6798  C     
9    C        14.8354   15.8035   29.2111  C     
10   C        15.5737   15.2784   30.2932  C     
11   N        15.5268   15.9617   31.4734  N     
12   N        14.0516   16.9016   29.4044  N     
13   C        16.3221   13.9945   30.1895  C     
14   N        16.9058   13.5184   31.4502  N     
15   C        18.3452   13.3258   31.4747  C     
16   C        16.1628   13.3462   32.6203  C     
17   C        13.9694   13.3861   33.7918  C     
18   C        14.7346   13.4216   32.6221  C     
19   C        16.7504   13.1451   33.9042  C     
20   C        15.9876   13.1251   35.0847  C     
21   C        14.5800   13.2878   35.0639  C     
22   C        13.8178   13.3412   36.2333  C     
23   O        12.5872   13.2412   36.1558  O     
24   N        14.3587   13.5772   37.4254  N     
25   C        13.7086   13.4390   38.6959  C     
26   C        13.3770   11.9446   39.0199  C     
27   C        14.4956   10.9185   38.6826  C     
28   C        13.9746    9.5702   38.3862  C     
29   O        14.4465    8.4907   39.0482  O     
30   O        13.2392    9.3697   37.2681  O     
31   C        14.5391   14.0678   39.7604  C     
32   O        14.0715   15.1245   40.4661  O     
33   O        15.8084   13.6716   40.0138  O     
34   H        15.9758   16.5531   33.9367  H     
35   H        15.2144   17.7247   34.8513  H     
36   H        11.4937   20.4116   31.5739  H     
37   H        12.0094   20.4549   33.1854  H     
38   H        14.8335   15.3391   28.2974  H     
39   H        15.6583   13.2189   29.7973  H     
40   H        17.0736   14.1496   29.4165  H     
41   H        18.8370   13.4330   30.5105  H     
42   H        18.5663   12.3152   31.8270  H     
43   H        18.8074   14.0641   32.1397  H     
44   H        12.9577   13.4660   33.6929  H     
45   H        14.2184   13.5322   31.7425  H     
46   H        17.7553   13.0339   34.0170  H     
47   H        16.4798   12.9830   35.9716  H     
48   H        15.3245   13.7362   37.4384  H     
49   H        12.7732   13.9853   38.6683  H     
50   H        13.1243   11.8508   40.0891  H     
51   H        12.4713   11.6835   38.4605  H     
52   H        15.0533   11.2396   37.8022  H     
53   H        15.1940   10.8701   39.5265  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    8 1
     4    2    4 1
     5    3    4 2
     6    3    7 1
     7    4    6 1
     8    7    8 2
     9    7   12 1
    10    8   11 1
    11    9   10 1
    12    9   12 2
    13   10   11 2
    14   10   13 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25   22   23 2
    26   22   24 am
    27   24   25 1
    28   25   26 1
    29   25   31 1
    30   26   27 1
    31   27   28 1
    32   28   29 2
    33   28   30 1
    34   31   32 2
    35   31   33 1
    36    5   34 1
    37    5   35 1
    38    6   36 1
    39    6   37 1
    40    9   38 1
    41   13   39 1
    42   13   40 1
    43   15   41 1
    44   15   42 1
    45   15   43 1
    46   17   44 1
    47   18   45 1
    48   19   46 1
    49   20   47 1
    50   24   48 1
    51   25   49 1
    52   26   50 1
    53   26   51 1
    54   27   52 1
    55   27   53 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9193
  Crash		| -1.3004
  Polar		| 4.9045
  FragIndex	| 1
  FragRMSD	| 0.637