@<TRIPOS>MOLECULE
BindingDB_11411
 45 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2822    4.0399   14.5452  C     
2    C        -3.3261    5.1835   13.8123  C     
3    N        -4.5202    5.7707   13.4635  N     
4    S        -5.8910    5.5689   14.4500  S     
5    O        -6.0467    6.6325   15.6172  O     
6    O        -7.2401    5.3619   13.6319  O     
7    C        -4.3730    3.4257   15.1521  C     
8    C        -5.6212    4.0460   15.2046  C     
9    C        -4.3579    2.1873   15.8293  C     
10   C        -5.5778    1.8267   16.4137  C     
11   S        -6.7154    3.0701   16.0970  S     
12   N        -7.5596    0.2981   17.8169  N     
13   S        -5.9676    0.3980   17.2994  S     
14   O        -5.8039   -0.8403   16.3230  O     
15   O        -4.9713    0.1077   18.5017  O     
16   C        -2.0414    5.7987   13.4087  C     
17   C        -4.7421    6.4512   12.1978  C     
18   C        -4.2379    5.7982   10.9968  C     
19   C        -4.4464    4.5156   10.6768  C     
20   C        -0.3887    9.3020   13.4040  C     
21   C        -0.5411    7.7816   13.1476  C     
22   C        -1.8961    7.5863   15.2084  C     
23   C        -1.7898    9.1237   15.3612  C     
24   N        -1.8116    7.2405   13.7472  N     
25   O        -0.5527    9.6117   14.8115  O     
26   H        -2.4023    3.5963   14.6920  H     
27   H        -3.5212    1.6025   15.9069  H     
28   H        -8.1866   -0.2310   17.3125  H     
29   H        -7.8418    0.7744   18.6142  H     
30   H        -1.1968    5.2433   13.8190  H     
31   H        -1.9590    5.6974   12.3257  H     
32   H        -5.8078    6.6333   12.0360  H     
33   H        -4.3021    7.4411   12.2305  H     
34   H        -3.7361    6.3654   10.3473  H     
35   H        -4.0693    4.1507    9.8331  H     
36   H        -5.0053    3.9178   11.2475  H     
37   H         0.6160    9.6105   13.1130  H     
38   H        -1.1119    9.8636   12.7929  H     
39   H        -0.5125    7.6033   12.0659  H     
40   H         0.3286    7.2881   13.6038  H     
41   H        -1.0908    7.1008   15.7786  H     
42   H        -2.8580    7.2823   15.6300  H     
43   H        -2.6313    9.6239   14.8556  H     
44   H        -1.8200    9.3704   16.4289  H     
45   H        -2.5746    7.7614   13.2912  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    2   16 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   13 1
    16   12   13 am
    17   13   14 2
    18   13   15 2
    19   16   24 1
    20   17   18 1
    21   18   19 2
    22   20   21 1
    23   20   25 1
    24   21   24 1
    25   22   23 1
    26   22   24 1
    27   23   25 1
    28    1   26 1
    29    9   27 1
    30   12   28 1
    31   12   29 1
    32   16   30 1
    33   16   31 1
    34   17   32 1
    35   17   33 1
    36   18   34 1
    37   19   35 1
    38   19   36 1
    39   20   37 1
    40   20   38 1
    41   21   39 1
    42   21   40 1
    43   22   41 1
    44   22   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4671
  Crash		| -3.6602
  Polar		| 1.7025
  FragIndex	| 1
  FragRMSD	| 0.864