@<TRIPOS>MOLECULE
BindingDB_50260279
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.2135   15.3206  106.2424  C     
2    C        21.2311   15.8382  105.3831  C     
3    C        19.8992   15.9308  105.8154  C     
4    C        19.5534   15.5314  107.1196  C     
5    C        20.5433   15.0831  108.0389  C     
6    C        21.8738   14.9544  107.5577  C     
7    C        20.2390   14.8074  109.3836  C     
8    C        19.0059   14.9856  109.9448  C     
9    O        21.0856   14.3244  110.1264  O     
10   C        18.3523   16.1846  110.0123  C     
11   N        17.0514   16.1800  110.3611  N     
12   C        16.3208   15.1124  110.0627  C     
13   N        16.9031   13.9419  110.0427  N     
14   C        18.2615   13.7835  110.4003  C     
15   C        16.5216   17.1053  111.2918  C     
16   S        14.8075   15.2525  109.2921  S     
17   C        18.3712   13.4747  111.8754  C     
18   C        17.5122   12.5008  112.4501  C     
19   C        17.5395   12.2153  113.8319  C     
20   C        18.4742   12.8607  114.6582  C     
21   C        19.3580   13.8045  114.1129  C     
22   C        19.2937   14.1189  112.7446  C     
23   O        16.6696   11.3441  114.4027  O     
24   C        19.0034   17.4514  109.6509  C     
25   H        23.1804   15.2335  105.9205  H     
26   H        21.4829   16.1382  104.4416  H     
27   H        19.1805   16.2854  105.1797  H     
28   H        18.5672   15.5966  107.4007  H     
29   H        22.6204   14.6024  108.1634  H     
30   H        16.4671   13.2292  109.6175  H     
31   H        18.6232   12.9072  109.8469  H     
32   H        17.3013   17.6381  111.8404  H     
33   H        15.8862   16.6240  112.0402  H     
34   H        15.9226   17.8450  110.7600  H     
35   H        16.8310   12.0117  111.8624  H     
36   H        18.5056   12.6542  115.6591  H     
37   H        20.0376   14.2766  114.7130  H     
38   H        19.9362   14.8327  112.3993  H     
39   H        16.0328   11.0843  113.7024  H     
40   H        19.8166   17.6488  110.3499  H     
41   H        18.3166   18.2970  109.6848  H     
42   H        19.4083   17.4178  108.6402  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5    7 1
     8    7    8 1
     9    7    9 2
    10    8   10 2
    11    8   14 1
    12   10   11 1
    13   10   24 1
    14   11   12 1
    15   11   15 1
    16   12   13 1
    17   12   16 2
    18   13   14 1
    19   14   17 1
    20   17   18 2
    21   17   22 1
    22   18   19 1
    23   19   20 2
    24   19   23 1
    25   20   21 1
    26   21   22 2
    27    1   25 1
    28    2   26 1
    29    3   27 1
    30    4   28 1
    31    6   29 1
    32   13   30 1
    33   14   31 1
    34   15   32 1
    35   15   33 1
    36   15   34 1
    37   18   35 1
    38   20   36 1
    39   21   37 1
    40   22   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   24   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7795
  Crash		| -0.9636
  Polar		| 1.3010
  FragIndex	| 1
  FragRMSD	| 0.247