@<TRIPOS>MOLECULE
BindingDB_11315
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.9945    8.7372    3.4661  C     
2    C        42.6173    6.5134    4.5267  C     
3    C        42.8906    6.5917    3.1540  C     
4    C        43.5631    7.6971    2.6278  C     
5    C        43.0045    7.5716    5.4120  C     
6    C        43.7242    8.6998    4.8744  C     
7    C        42.6971    7.5630    6.7979  C     
8    C        43.1335    8.5674    7.6722  C     
9    C        43.8565    9.6846    7.1354  C     
10   C        44.2641   10.7260    8.0200  C     
11   C        43.9632   10.6692    9.3861  C     
12   C        43.2860    9.5790    9.9134  C     
13   C        42.8695    8.5301    9.0785  C     
14   O        42.0425    6.6302    7.2743  O     
15   N        44.6562    9.7249    2.8257  N     
16   O        42.2111    7.4930    9.6599  O     
17   N        41.9917    5.3810    4.9052  N     
18   C        44.1109    9.7319    5.7551  C     
19   O        44.6021   10.7673    5.2943  O     
20   O        44.9481   11.8190    7.6038  O     
21   H        42.6029    5.8419    2.5164  H     
22   H        43.7555    7.7211    1.6167  H     
23   H        44.2606   11.4258   10.0175  H     
24   H        43.0814    9.5540   10.9181  H     
25   H        45.0098   10.4881    3.2980  H     
26   H        44.7954    9.6617    1.8662  H     
27   H        41.6882    7.8639   10.4115  H     
28   H        41.7938    5.2146    5.8310  H     
29   H        41.7789    4.7055    4.2453  H     
30   H        44.3278   12.2919    7.0135  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   15 1
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   10   20 1
    19   11   12 1
    20   12   13 2
    21   13   16 1
    22   18   19 2
    23    3   21 1
    24    4   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   15   26 1
    29   16   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7730
  Crash		| -1.5213
  Polar		| 1.5590
  FragIndex	| 1
  FragRMSD	| 0.222