@<TRIPOS>MOLECULE
BindingDB_50148296
 43 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        73.8715   -8.8614  134.6486  C     
2    N        74.7708   -8.9994  133.6572  N     
3    O        73.0204   -9.8372  135.0498  O     
4    O        73.8430   -7.6645  135.2620  O     
5    O        77.4580  -10.3018  132.8636  O     
6    C        72.0183   -9.7556  136.0855  C     
7    C        70.8598   -8.7676  135.6815  C     
8    C        76.4185   -9.8952  132.3584  C     
9    C        69.5402   -9.4371  135.5566  C     
10   C        75.1186  -10.1823  132.9294  C     
11   C        72.6516   -9.4204  137.4632  C     
12   C        68.7314   -9.6433  136.7017  C     
13   C        69.0556   -9.8409  134.2908  C     
14   C        74.1021  -10.5558  131.8057  C     
15   C        72.7312  -12.4966  130.7433  C     
16   C        73.2582  -11.8409  132.0551  C     
17   C        72.1533  -11.4964  129.6989  C     
18   C        67.7951  -10.4499  134.1702  C     
19   C        67.4659  -10.2479  136.5770  C     
20   C        66.9967  -10.6425  135.3100  C     
21   H        75.3193   -8.2154  133.4997  H     
22   H        71.6196  -10.7701  136.1613  H     
23   H        70.7877   -7.9419  136.4095  H     
24   H        71.1184   -8.2867  134.7238  H     
25   H        76.4858   -9.3681  131.5184  H     
26   H        75.2227  -11.0156  133.6234  H     
27   H        73.4544  -10.1323  137.6817  H     
28   H        71.8959   -9.4916  138.2500  H     
29   H        73.0721   -8.4158  137.4774  H     
30   H        69.0579   -9.3688  137.6291  H     
31   H        69.6352   -9.7151  133.4528  H     
32   H        73.4228   -9.7173  131.6211  H     
33   H        74.6488  -10.7241  130.8658  H     
34   H        73.5285  -13.0870  130.2677  H     
35   H        71.9184  -13.1915  131.0084  H     
36   H        73.9012  -12.5808  132.5536  H     
37   H        72.4255  -11.6213  132.7246  H     
38   H        71.2374  -11.0381  130.0910  H     
39   H        71.9219  -12.0449  128.7737  H     
40   H        72.8921  -10.7109  129.4697  H     
41   H        67.4631  -10.7489  133.2491  H     
42   H        66.8842  -10.3999  137.4018  H     
43   H        66.0728  -11.0763  135.2154  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    3 1
     3    1    4 2
     4    2   10 1
     5    3    6 1
     6    5    8 2
     7    6    7 1
     8    6   11 1
     9    7    9 1
    10    8   10 1
    11    9   12 2
    12    9   13 1
    13   10   14 1
    14   12   19 1
    15   13   18 2
    16   14   16 1
    17   15   16 1
    18   15   17 1
    19   18   20 1
    20   19   20 2
    21    2   21 1
    22    6   22 1
    23    7   23 1
    24    7   24 1
    25    8   25 1
    26   10   26 1
    27   11   27 1
    28   11   28 1
    29   11   29 1
    30   12   30 1
    31   13   31 1
    32   14   32 1
    33   14   33 1
    34   15   34 1
    35   15   35 1
    36   16   36 1
    37   16   37 1
    38   17   38 1
    39   17   39 1
    40   17   40 1
    41   18   41 1
    42   19   42 1
    43   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.5053
  Crash		| -1.5515
  Polar		| 1.6613
  FragIndex	| 1
  FragRMSD	| 1.202