@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6635    7.6121   10.6290  C     
2    C        -0.6398    8.4950   11.0134  C     
3    C        -0.1053    8.4281   12.3143  C     
4    C        -0.6119    7.4944   13.2365  C     
5    C        -1.6454    6.6083   12.8508  C     
6    C        -2.1715    6.6395   11.5289  C     
7    C        -3.2316    5.7115   11.0188  C     
8    N        -3.7013    4.7500   11.9643  N     
9    C        -4.9385    4.5771   12.4355  C     
10   O        -5.8350    5.3051   12.0113  O     
11   C        -5.2026    3.6684   13.4602  C     
12   C        -6.4041    3.7442   14.2206  C     
13   C        -4.2740    2.6536   13.8280  C     
14   C        -4.5317    1.7686   14.8864  C     
15   C        -5.7247    1.8724   15.6328  C     
16   C        -6.6611    2.8678   15.2892  C     
17   S        -6.0259    0.7525   16.9235  S     
18   O        -6.0257   -0.6915   16.2618  O     
19   O        -4.8176    0.8221   17.9522  O     
20   N        -7.4962    0.9254   17.7199  N     
21   F        -2.0983    5.7852   13.7602  F     
22   F        -0.1165    7.4614   14.4441  F     
23   H        -2.0290    7.6739    9.6759  H     
24   H        -0.2744    9.1804   10.3452  H     
25   H         0.6449    9.0705   12.5882  H     
26   H        -4.0437    6.3206   10.6070  H     
27   H        -2.8049    5.1349   10.1924  H     
28   H        -3.0171    4.1550   12.3130  H     
29   H        -7.1155    4.4577   14.0065  H     
30   H        -3.4011    2.5319   13.3110  H     
31   H        -3.8458    1.0474   15.1093  H     
32   H        -7.5277    2.9698   15.8199  H     
33   H        -7.7761    0.2555   18.3597  H     
34   H        -7.9807    1.7633   17.6581  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    2   24 1
    26    3   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5308
  Crash		| -0.5045
  Polar		| 3.9336
  FragIndex	| 1
  FragRMSD	| 0.835