@<TRIPOS>MOLECULE
BindingDB_50195203
 58 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.9617   -1.7618   12.5227  C     
2    C        12.3576   -0.6258   11.9372  C     
3    C        13.0295    0.0606   10.8996  C     
4    C        14.2273   -2.1949   12.0987  C     
5    C        14.9196   -1.4901   11.0879  C     
6    C        14.3008   -0.3708   10.4818  C     
7    N        14.9813    0.2887    9.4962  N     
8    C        16.2132   -0.0645    9.1272  C     
9    C        16.8990   -1.1092    9.7429  C     
10   C        16.2091   -1.8325   10.6743  C     
11   O        16.6812    0.5994    8.2103  O     
12   C        18.2601   -1.3684    9.4911  C     
13   N        19.0710   -0.5989    8.7151  N     
14   C        19.0695   -2.4081    9.9885  C     
15   C        20.3605   -2.2214    9.5116  C     
16   C        20.3172   -1.0759    8.7148  C     
17   C        21.4718   -0.5962    8.0748  C     
18   C        22.6653   -1.3173    8.2113  C     
19   C        22.7171   -2.5257    8.9705  C     
20   C        21.5480   -2.9550    9.6560  C     
21   C        23.9469   -3.3682    8.9722  C     
22   N        23.8869   -4.5791    8.0802  N     
23   C        22.7956   -4.5621    7.0466  C     
24   C        22.7488   -5.8869    6.2512  C     
25   C        24.1122   -6.1696    5.5624  C     
26   C        25.2380   -6.1612    6.6397  C     
27   C        25.2289   -4.8482    7.4551  C     
28   C        24.1290   -7.4936    4.7443  C     
29   N        23.0063   -7.5980    3.7908  N     
30   C        11.2030   -0.2115   12.3612  C     
31   N        10.1806    0.1484   12.7424  N     
32   H        12.4948   -2.2699   13.2789  H     
33   H        12.6069    0.8856   10.4623  H     
34   H        14.6559   -3.0111   12.5484  H     
35   H        14.5486    1.0286    9.0386  H     
36   H        16.6462   -2.5886   11.1349  H     
37   H        18.8079    0.2009    8.2313  H     
38   H        18.7820   -3.1929   10.5722  H     
39   H        21.4341    0.2442    7.4876  H     
40   H        23.4938   -0.9882    7.7111  H     
41   H        21.5514   -3.8206   10.2003  H     
42   H        24.8163   -2.7596    8.7036  H     
43   H        24.1044   -3.7028   10.0075  H     
44   H        23.6860   -5.3717    8.6981  H     
45   H        21.8227   -4.4395    7.5275  H     
46   H        22.9404   -3.7168    6.3658  H     
47   H        22.5014   -6.7066    6.9334  H     
48   H        21.9609   -5.8175    5.5046  H     
49   H        24.3151   -5.3572    4.8538  H     
50   H        25.0998   -7.0008    7.3278  H     
51   H        26.2144   -6.2732    6.1676  H     
52   H        25.5146   -4.0133    6.8013  H     
53   H        25.9912   -4.9269    8.2394  H     
54   H        25.0557   -7.5598    4.1672  H     
55   H        24.0782   -8.3540    5.4160  H     
56   H        22.1255   -7.6791    4.3152  H     
57   H        23.1363   -8.4342    3.2108  H     
58   H        22.9775   -6.7647    3.1902  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   30 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   16 1
    18   14   15 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25   19   21 1
    26   21   22 1
    27   22   23 1
    28   22   27 1
    29   23   24 1
    30   24   25 1
    31   25   26 1
    32   25   28 1
    33   26   27 1
    34   28   29 1
    35   30   31 3
    36    1   32 1
    37    3   33 1
    38    4   34 1
    39    7   35 1
    40   10   36 1
    41   13   37 1
    42   14   38 1
    43   17   39 1
    44   18   40 1
    45   20   41 1
    46   21   42 1
    47   21   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   24   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   28   54 1
    59   28   55 1
    60   29   56 1
    61   29   57 1
    62   29   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2466
  Crash		| -1.0117
  Polar		| 3.3522
  FragIndex	| 1
  FragRMSD	| 0.838