@<TRIPOS>MOLECULE
BindingDB_14794
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.3474    1.2416   64.7077  C     
2    C        43.5276    1.6403   64.0744  C     
3    N        41.3187    1.7410   64.0116  N     
4    N        41.7449    2.4160   62.9909  N     
5    C        42.1603    0.4269   65.9211  C     
6    C        44.8507    1.3671   64.5018  C     
7    O        45.0878    0.6905   65.6556  O     
8    O        45.9116    1.8312   63.7927  O     
9    C        47.2976    1.6921   64.1196  C     
10   C        48.1206    2.6409   63.2245  C     
11   C        40.8493    2.9639   62.1153  C     
12   C        39.8105    3.8007   62.5848  C     
13   C        38.7990    4.2508   61.7143  C     
14   C        38.8196    3.8834   60.3521  C     
15   C        39.8581    3.0607   59.8733  C     
16   C        40.8651    2.6110   60.7467  C     
17   C        43.1011    2.3977   62.9697  C     
18   C        43.9793    3.1030   62.0061  C     
19   O        37.7697    4.2186   59.5323  O     
20   C        37.9055    5.5180   58.9245  C     
21   H        42.5851   -0.5675   65.7647  H     
22   H        41.0983    0.3200   66.1545  H     
23   H        42.6530    0.9029   66.7715  H     
24   H        47.4606    1.9592   65.1690  H     
25   H        47.6185    0.6588   63.9581  H     
26   H        47.9618    2.3967   62.1704  H     
27   H        49.1864    2.5469   63.4534  H     
28   H        47.8117    3.6753   63.3975  H     
29   H        39.7602    4.0511   63.5725  H     
30   H        38.0311    4.8239   62.0800  H     
31   H        39.8608    2.7676   58.8932  H     
32   H        41.5720    1.9651   60.3889  H     
33   H        44.6467    3.7846   62.5354  H     
34   H        43.4066    3.6932   61.2911  H     
35   H        44.5755    2.3751   61.4532  H     
36   H        37.9760    6.3131   59.6786  H     
37   H        37.0138    5.7057   58.3215  H     
38   H        38.7809    5.5573   58.2657  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   19   20 1
    22    5   21 1
    23    5   22 1
    24    5   23 1
    25    9   24 1
    26    9   25 1
    27   10   26 1
    28   10   27 1
    29   10   28 1
    30   12   29 1
    31   13   30 1
    32   15   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   18   35 1
    37   20   36 1
    38   20   37 1
    39   20   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0609
  Crash		| -0.8761
  Polar		| 0.8545
  FragIndex	| 1
  FragRMSD	| 0.356