@<TRIPOS>MOLECULE
BindingDB_13812
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5885   -3.9136   -4.1219  C     
2    C        16.6168   -2.5212   -3.8895  C     
3    C        16.5848   -2.0065   -2.5784  C     
4    C        16.4642   -2.8709   -1.4652  C     
5    C        16.4663   -4.2642   -1.7052  C     
6    C        16.5282   -4.7784   -3.0081  C     
7    C        16.2751   -2.3662   -0.0741  C     
8    C        16.8617   -0.8555    1.6728  C     
9    C        17.4629   -1.6603    0.6267  C     
10   O        14.8503   -0.0835   -1.0052  O     
11   S        14.9226   -1.1950    0.1292  S     
12   O        13.6048   -2.0351    0.4030  O     
13   N        15.5886   -0.5707    1.5388  N     
14   O        17.4580   -0.5449    2.6990  O     
15   C        16.5654   -4.4632   -5.5030  C     
16   C        17.7685   -4.0338   -6.3933  C     
17   C        19.0600   -4.5122   -5.9044  C     
18   O        19.8987   -3.7247   -5.4796  O     
19   N        19.3768   -5.7910   -5.8781  N     
20   N        17.5394   -4.5508   -7.7145  N     
21   C        17.8534   -3.9808   -8.8799  C     
22   O        18.4135   -2.8890   -8.9123  O     
23   C        17.5459   -4.6911  -10.1204  C     
24   C        18.5466   -5.8688  -10.3222  C     
25   C        18.3423   -6.5886  -11.6088  C     
26   C        17.9300   -7.9583  -14.0566  C     
27   C        18.5574   -6.6969  -14.0507  C     
28   C        18.7614   -6.0208  -12.8345  C     
29   C        17.7040   -7.8553  -11.6314  C     
30   C        17.5025   -8.5327  -12.8474  C     
31   N        17.6079   -3.8219  -11.2695  N     
32   C        16.9962   -2.8203  -13.3449  C     
33   C        16.6800   -3.6438  -12.1991  C     
34   O        15.5870   -4.1901  -12.1464  O     
35   H        16.6417   -1.8657   -4.6762  H     
36   H        16.6111   -0.9925   -2.4449  H     
37   H        16.3820   -4.9208   -0.9257  H     
38   H        16.4962   -5.7933   -3.1328  H     
39   H        16.0046   -3.1994    0.5793  H     
40   H        18.1558   -2.3968    1.0490  H     
41   H        18.0129   -1.0120   -0.0636  H     
42   H        15.0631   -0.1232    2.2203  H     
43   H        16.5169   -5.5570   -5.4861  H     
44   H        15.6404   -4.1250   -5.9721  H     
45   H        17.7857   -2.9417   -6.4123  H     
46   H        20.2397   -6.0715   -5.5352  H     
47   H        18.7636   -6.4543   -6.2276  H     
48   H        17.0887   -5.4113   -7.7589  H     
49   H        16.5353   -5.1075  -10.0123  H     
50   H        19.5694   -5.4797  -10.2642  H     
51   H        18.4443   -6.5957   -9.5107  H     
52   H        17.7850   -8.4519  -14.9400  H     
53   H        18.8697   -6.2785  -14.9293  H     
54   H        19.2164   -5.1037  -12.8530  H     
55   H        17.3820   -8.2874  -10.7624  H     
56   H        17.0409   -9.4468  -12.8520  H     
57   H        18.4442   -3.3490  -11.4012  H     
58   H        17.2608   -1.8145  -13.0127  H     
59   H        16.1505   -2.7429  -14.0358  H     
60   H        17.8418   -3.2535  -13.8825  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   33 am
    35   32   33 1
    36   33   34 2
    37    2   35 1
    38    3   36 1
    39    5   37 1
    40    6   38 1
    41    7   39 1
    42    9   40 1
    43    9   41 1
    44   13   42 1
    45   15   43 1
    46   15   44 1
    47   16   45 1
    48   19   46 1
    49   19   47 1
    50   20   48 1
    51   23   49 1
    52   24   50 1
    53   24   51 1
    54   26   52 1
    55   27   53 1
    56   28   54 1
    57   29   55 1
    58   30   56 1
    59   31   57 1
    60   32   58 1
    61   32   59 1
    62   32   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9237
  Crash		| -2.9718
  Polar		| 6.6634
  FragIndex	| 1
  FragRMSD	| 0.540