@<TRIPOS>MOLECULE
BindingDB_13073
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.8368    4.2623   14.4149  C     
2    C        -5.2626    4.3142   14.5042  C     
3    C        -5.9018    3.3241   15.2944  C     
4    C        -5.1806    2.3202   15.9669  C     
5    C        -3.7802    2.2832   15.8576  C     
6    C        -3.1147    3.2538   15.0980  C     
7    N        -6.0316    5.2681   13.8848  N     
8    O        -7.2315    5.2969   13.9763  O     
9    O        -5.5458    6.2670   13.1988  O     
10   C        -2.9603    5.1447   12.3738  C     
11   C        -2.1637    6.2290   11.8774  C     
12   C        -1.6534    6.9280   13.1520  C     
13   C        -2.3579    6.2002   14.3142  C     
14   N        -3.0918    5.1523   13.6909  N     
15   O        -3.5073    4.3504   11.6204  O     
16   N        -7.4882    1.5584   17.5683  N     
17   S        -6.0326    1.1040   16.8736  S     
18   O        -6.2620   -0.2407   16.0637  O     
19   O        -5.1120    0.6487   18.0828  O     
20   H        -6.9200    3.3176   15.3751  H     
21   H        -3.2366    1.5389   16.3040  H     
22   H        -2.0931    3.2088   15.0322  H     
23   H        -1.3371    5.8556   11.2694  H     
24   H        -2.7859    6.9008   11.2848  H     
25   H        -0.5662    6.8241   13.2357  H     
26   H        -1.9051    7.9925   13.1484  H     
27   H        -1.6218    5.7991   15.0144  H     
28   H        -3.0341    6.8736   14.8474  H     
29   H        -7.5243    1.7147   18.5200  H     
30   H        -8.2485    1.7701   17.0088  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   14 1
     4    2    3 1
     5    2    7 am
     6    3    4 2
     7    4    5 1
     8    4   17 1
     9    5    6 2
    10    7    8 2
    11    7    9 1
    12   10   11 1
    13   10   14 1
    14   10   15 2
    15   11   12 1
    16   12   13 1
    17   13   14 1
    18   16   17 am
    19   17   18 2
    20   17   19 2
    21    3   20 1
    22    5   21 1
    23    6   22 1
    24   11   23 1
    25   11   24 1
    26   12   25 1
    27   12   26 1
    28   13   27 1
    29   13   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0888
  Crash		| -1.4512
  Polar		| 2.6549
  FragIndex	| 1
  FragRMSD	| 0.921