@<TRIPOS>MOLECULE
BindingDB_14796
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7414    5.5278   11.9598  C     
2    C        14.6689    5.6930   11.0755  C     
3    N        15.2392    5.3365   13.1876  N     
4    N        13.9445    5.3784   13.1405  N     
5    C        17.1911    5.5697   11.6879  C     
6    C        14.7340    5.8737    9.6712  C     
7    O        15.9184    5.7535    9.0250  O     
8    O        13.6208    6.1838    8.9517  O     
9    C        13.5123    6.3321    7.5291  C     
10   C        12.0584    6.6788    7.1499  C     
11   C        13.1890    5.2443   14.2551  C     
12   C        13.0891    3.9864   14.8825  C     
13   C        12.3025    3.8243   16.0368  C     
14   C        11.6348    4.9343   16.6008  C     
15   C        11.7454    6.1968   15.9819  C     
16   C        12.5157    6.3490   14.8176  C     
17   C        13.5225    5.5987   11.8779  C     
18   C        12.1121    5.6961   11.4250  C     
19   N        10.9043    4.7908   17.7197  N     
20   H        17.4573    4.7840   10.9830  H     
21   H        17.7582    5.4170   12.6058  H     
22   H        17.4598    6.5419   11.2734  H     
23   H        14.1606    7.1363    7.1793  H     
24   H        13.8142    5.3979    7.0498  H     
25   H        11.3654    5.9178    7.5135  H     
26   H        11.9615    6.7458    6.0648  H     
27   H        11.7901    7.6419    7.5886  H     
28   H        13.5867    3.1821   14.4927  H     
29   H        12.2295    2.9051   16.4684  H     
30   H        11.2741    7.0105   16.3828  H     
31   H        12.5978    7.2752   14.3860  H     
32   H        11.9295    6.6772   10.9838  H     
33   H        11.4089    5.5612   12.2484  H     
34   H        11.9174    4.9210   10.6832  H     
35   H        10.4638    5.5660   18.1009  H     
36   H        10.8245    3.9260   18.1507  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21    5   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   10   27 1
    29   12   28 1
    30   13   29 1
    31   15   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4551
  Crash		| -0.1420
  Polar		| 1.2567
  FragIndex	| 1
  FragRMSD	| 0.104