@<TRIPOS>MOLECULE
BindingDB_18780
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.1090    2.2556   15.1947  C     
2    C        27.8612    2.5401   13.8347  C     
3    C        28.9232    2.5775   12.9025  C     
4    C        30.2303    2.2922   13.3663  C     
5    C        30.4820    2.0554   14.7255  C     
6    C        29.4214    2.0268   15.6621  C     
7    C        28.7315    2.9096   11.5291  C     
8    C        27.9693    2.0769   10.6622  C     
9    C        28.6504    3.3413    8.7709  C     
10   C        29.3759    4.0392   10.9342  C     
11   N        27.2580    1.0079   11.0678  N     
12   N        28.6753    3.5290    7.4447  N     
13   N        27.9652    2.3125    9.3260  N     
14   N        29.3103    4.1930    9.5849  N     
15   C        30.0859    5.1271   11.6743  C     
16   C        31.2839    5.7186   10.8989  C     
17   O        29.5933    1.8923   17.0216  O     
18   C        30.9095    1.6454   17.5502  C     
19   H        27.3299    2.2541   15.8555  H     
20   H        26.9045    2.7520   13.5330  H     
21   H        31.0219    2.2886   12.7158  H     
22   H        31.4465    1.9149   15.0199  H     
23   H        26.7440    0.5042   10.4193  H     
24   H        27.1817    0.7766   12.0059  H     
25   H        29.1977    4.2616    7.0686  H     
26   H        28.1941    2.9208    6.8583  H     
27   H        29.3813    5.9369   11.8649  H     
28   H        30.4338    4.8020   12.6530  H     
29   H        31.9953    4.9340   10.6322  H     
30   H        31.7984    6.4585   11.5169  H     
31   H        30.9406    6.2138    9.9873  H     
32   H        31.3369    0.7327   17.1172  H     
33   H        30.8184    1.5134   18.6328  H     
34   H        31.5771    2.4954   17.3782  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19   17   18 1
    20    1   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24   11   23 1
    25   11   24 1
    26   12   25 1
    27   12   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1608
  Crash		| -1.1295
  Polar		| 1.7487
  FragIndex	| 1
  FragRMSD	| 0.591