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


@<TRIPOS>ATOM
1    C        21.5744   10.1846   16.8310  C     
2    C        23.4996    8.3765   15.8318  C     
3    C        23.0954    9.4849   15.0643  C     
4    C        22.1555   10.3906   15.5645  C     
5    C        22.9715    8.1742   17.1463  C     
6    C        21.9633    9.0679   17.6316  C     
7    C        23.4130    7.1400   17.9939  C     
8    C        22.9504    7.0072   19.3222  C     
9    C        21.9190    7.8748   19.7861  C     
10   C        21.4103    7.7157   21.1134  C     
11   C        21.8709    6.6729   21.9340  C     
12   C        22.8886    5.8253   21.4857  C     
13   C        23.4492    6.0053   20.2109  C     
14   O        24.3009    6.3745   17.6037  O     
15   N        20.6780   11.1326   17.2003  N     
16   O        24.4491    5.1364   19.8918  O     
17   N        24.3867    7.5712   15.2059  N     
18   C        21.3915    8.8355   18.8976  C     
19   O        20.2899    9.2976   19.1422  O     
20   O        20.4419    8.5028   21.6645  O     
21   H        23.4767    9.6454   14.1266  H     
22   H        21.8829   11.1902   14.9848  H     
23   H        21.4602    6.5208   22.8583  H     
24   H        23.2113    5.0643   22.0886  H     
25   H        20.2011   11.0625   18.0339  H     
26   H        20.5246   11.8957   16.6263  H     
27   H        25.1804    5.7001   19.5565  H     
28   H        24.7234    6.7673   15.6309  H     
29   H        24.6835    7.7858   14.3095  H     
30   H        20.6625    9.4343   21.4353  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	| 6.0114
  Crash		| -0.8445
  Polar		| 1.3951
  FragIndex	| 1
  FragRMSD	| 0.299