@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         6.2900   19.0179   -7.0891  C     
2    C         6.2632   19.9793   -8.2956  C     
3    O         7.6176   18.5662   -6.7982  O     
4    C         8.7067   18.6953   -7.5919  C     
5    O         8.6289   19.3297   -8.7881  O     
6    C         9.9664   18.0793   -7.1497  C     
7    C        11.1362   17.8218   -8.0788  C     
8    C        12.4060   17.4299   -7.5357  C     
9    O        12.8337   16.3272   -7.8393  O     
10   N        13.1012   18.2747   -6.7812  N     
11   C        14.4301   18.0484   -6.2756  C     
12   C        14.4443   16.9602   -5.3010  C     
13   O        13.8588   17.1035   -4.2316  O     
14   C        15.0940   19.3690   -5.7627  C     
15   C        14.3059   20.1597   -4.6916  C     
16   O        10.1051   16.8525   -7.8777  O     
17   N        15.0497   15.8120   -5.5932  N     
18   C        15.0930   14.5991   -4.8319  C     
19   C        14.9961   14.8244   -3.3592  C     
20   O        13.8285   14.5640   -2.7081  O     
21   O        15.9275   15.5558   -2.6922  O     
22   C        16.3373   13.7163   -5.2330  C     
23   C        16.0829   12.9328   -6.5571  C     
24   O        16.4046   19.1131   -5.2402  O     
25   C        17.7434   14.4193   -5.2430  C     
26   C        18.1515   15.2890   -6.4588  C     
27   H         5.8962   19.5356   -6.2136  H     
28   H         5.6443   18.1592   -7.2874  H     
29   H         6.9499   20.8081   -8.1247  H     
30   H         5.2548   20.3589   -8.4161  H     
31   H         6.5667   19.4673   -9.2079  H     
32   H        10.1022   17.8848   -6.0818  H     
33   H        11.1156   18.3165   -9.0532  H     
34   H        12.7113   19.1467   -6.6301  H     
35   H        15.0363   17.7572   -7.1397  H     
36   H        15.2140   20.0342   -6.6278  H     
37   H        13.2766   20.2989   -5.0129  H     
38   H        14.7527   21.1468   -4.5586  H     
39   H        14.3180   19.6430   -3.7295  H     
40   H        15.4532   15.7729   -6.4694  H     
41   H        14.1945   14.0485   -5.1159  H     
42   H        16.4062   12.9412   -4.4612  H     
43   H        15.1917   12.3062   -6.4788  H     
44   H        16.9304   12.2799   -6.7761  H     
45   H        15.9421   13.6214   -7.3882  H     
46   H        16.9802   18.9741   -6.0205  H     
47   H        17.8369   15.0412   -4.3483  H     
48   H        18.5069   13.6363   -5.1495  H     
49   H        18.2216   14.6759   -7.3654  H     
50   H        19.1384   15.7275   -6.2854  H     
51   H        17.4507   16.1079   -6.6330  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   16 1
     8    7    8 1
     9    7   16 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0352
  Crash		| -2.0852
  Polar		| 2.5251
  FragIndex	| 1
  FragRMSD	| 1.075