@<TRIPOS>MOLECULE
BindingDB_50108006
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.0000    1.8660    8.9879  C     
2    C         0.7859    1.2618    9.2990  C     
3    N         3.0782    1.7277    9.7973  N     
4    N         1.7616    0.4993   11.3262  N     
5    C         0.6577    0.6151   10.5353  C     
6    C         2.9689    1.0131   10.9539  C     
7    N         1.8089    2.5524    7.8530  N     
8    C        -0.0719    1.5691    8.2864  C     
9    C         0.5526    2.4035    7.4574  C     
10   C        -2.2316    7.9668   10.3761  C     
11   O        -0.5608    0.2105   10.9603  O     
12   C        -2.0069    6.9280    9.4425  C     
13   O        -2.8122    9.1311   10.0046  O     
14   N        -1.2061    3.9497    6.5528  N     
15   N         4.0352    0.8728   11.7567  N     
16   C        -0.0497    3.1190    6.3493  C     
17   C        -2.3157    7.0935    8.0723  C     
18   C        -1.4711    5.6899    9.8520  C     
19   C        -1.4723    4.8463    7.5418  C     
20   O        -1.8408    7.8600   11.6682  O     
21   C        -1.1861    4.6756    8.9142  C     
22   C        -2.0915    6.0582    7.1482  C     
23   H         2.4660    3.1252    7.4249  H     
24   H        -1.0157    1.2728    8.2126  H     
25   H        -0.4035   -0.5604   11.5485  H     
26   H        -1.6988    4.1088    5.7255  H     
27   H         3.9435    0.4286   12.6138  H     
28   H         4.8930    1.2487   11.5000  H     
29   H         0.7095    3.7658    5.9004  H     
30   H        -0.3144    2.3773    5.5989  H     
31   H        -2.6909    7.9809    7.7293  H     
32   H        -1.2635    5.5056   10.8396  H     
33   H        -0.8176    3.7886    9.2682  H     
34   H        -2.3091    6.2336    6.1618  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    7 1
     4    2    5 2
     5    2    8 1
     6    3    6 1
     7    4    5 1
     8    4    6 2
     9    5   11 1
    10    6   15 1
    11    7    9 1
    12    8    9 2
    13    9   16 1
    14   10   12 1
    15   10   13 2
    16   10   20 1
    17   12   17 2
    18   12   18 1
    19   14   16 1
    20   14   19 1
    21   17   22 1
    22   18   21 2
    23   19   21 1
    24   19   22 2
    25    7   23 1
    26    8   24 1
    27   11   25 1
    28   14   26 1
    29   15   27 1
    30   15   28 1
    31   16   29 1
    32   16   30 1
    33   17   31 1
    34   18   32 1
    35   21   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7304
  Crash		| -1.2363
  Polar		| 4.6766
  FragIndex	| 1
  FragRMSD	| 0.768