@<TRIPOS>MOLECULE
BindingDB_7702
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -7.8458   49.5968   14.7735  C     
2    C        -7.1607   50.1843   15.8736  C     
3    C        -7.3512   51.5345   16.2274  C     
4    C        -8.2395   52.3323   15.4943  C     
5    C        -8.7559   50.4143   14.0307  C     
6    C        -9.5963   50.2535   12.9223  C     
7    C        -8.9319   51.7485   14.4226  C     
8    N        -9.8256   52.3224   13.6241  N     
9    C       -10.2281   51.4407   12.7405  C     
10   O       -11.0160   51.7555   11.8592  O     
11   N       -10.5970   49.0467   11.1166  N     
12   C       -10.5857   48.1226   10.1124  C     
13   C       -10.6610   46.3266    7.8874  C     
14   C        -9.6005   46.2874    8.8093  C     
15   C        -9.5648   47.1689    9.9027  C     
16   C       -11.6639   48.1301    9.2018  C     
17   C       -11.7104   47.2361    8.1138  C     
18   O        -9.2158   45.6353    5.7168  O     
19   S       -10.5971   45.3338    6.4523  S     
20   O       -10.6489   43.8035    6.8922  O     
21   N       -11.8458   45.6286    5.3669  N     
22   C        -7.6153   48.1599   14.4557  C     
23   C        -9.7414   49.1612   12.1420  C     
24   O        -6.6484   47.4781   15.2566  O     
25   H        -6.5121   49.6406   16.4464  H     
26   H        -6.8490   51.9344   17.0237  H     
27   H        -8.3758   53.3133   15.7309  H     
28   H       -10.1222   53.2478   13.6760  H     
29   H       -11.3202   49.6895   11.0828  H     
30   H        -8.8268   45.6352    8.6727  H     
31   H        -8.7542   47.1191   10.5178  H     
32   H       -12.4376   48.7979    9.3195  H     
33   H       -12.5091   47.2739    7.4784  H     
34   H       -11.9505   45.0492    4.5992  H     
35   H       -12.3182   46.4812    5.3976  H     
36   H        -8.5546   47.6175   14.5801  H     
37   H        -7.2803   48.0724   13.4199  H     
38   H        -9.2055   48.3687   12.3608  H     
39   H        -5.7907   47.9064   15.0408  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    4    7 2
     7    5    6 1
     8    5    7 1
     9    6    9 1
    10    6   23 2
    11    7    8 1
    12    8    9 1
    13    9   10 2
    14   11   12 1
    15   11   23 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   16   17 2
    23   18   19 2
    24   19   20 2
    25   19   21 am
    26   22   24 1
    27    2   25 1
    28    3   26 1
    29    4   27 1
    30    8   28 1
    31   11   29 1
    32   14   30 1
    33   15   31 1
    34   16   32 1
    35   17   33 1
    36   21   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   24   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0832
  Crash		| -1.2095
  Polar		| 4.0161
  FragIndex	| 1
  FragRMSD	| 0.802