@<TRIPOS>MOLECULE
BindingDB_14790
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.3716    1.1352   64.6811  C     
2    C        43.6013    1.5505   64.1637  C     
3    N        41.4055    1.5431   63.8411  N     
4    N        41.9316    2.1844   62.8451  N     
5    C        42.0943    0.3707   65.9091  C     
6    C        44.8930    1.3048   64.6948  C     
7    O        45.0541    0.6998   65.8956  O     
8    O        45.9883    1.7146   64.0025  O     
9    C        47.3817    1.6080   64.3068  C     
10   C        48.1856    2.5524   63.3953  C     
11   C        41.1814    2.6707   61.8104  C     
12   C        40.1669    3.6013   62.1210  C     
13   C        39.4484    4.2493   61.1029  C     
14   C        39.7412    4.0173   59.7416  C     
15   C        40.7309    3.0517   59.4492  C     
16   C        41.4466    2.3435   60.4478  C     
17   O        42.6631    1.1963   58.7972  O     
18   C        43.2766    2.2586   62.9994  C     
19   C        44.2240    2.9670   62.1043  C     
20   N        42.3483    1.3888   60.0527  N     
21   O        42.8862    0.6241   60.8076  O     
22   N        39.1129    4.7022   58.7404  N     
23   O        39.4499    4.6083   57.5865  O     
24   O        38.1589    5.5623   58.9817  O     
25   H        42.6142   -0.5881   65.8737  H     
26   H        41.0238    0.1830   66.0124  H     
27   H        42.4337    0.9340   66.7796  H     
28   H        47.5191    1.9216   65.3418  H     
29   H        47.7467    0.5829   64.1997  H     
30   H        48.0802    2.2438   62.3532  H     
31   H        49.2416    2.5266   63.6719  H     
32   H        47.8218    3.5776   63.5008  H     
33   H        39.9686    3.8407   63.0963  H     
34   H        38.7341    4.9292   61.3718  H     
35   H        40.9224    2.8462   58.4659  H     
36   H        44.7941    3.7002   62.6736  H     
37   H        43.7086    3.4969   61.3042  H     
38   H        44.9102    2.2481   61.6542  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   18 2
     6    3    4 1
     7    4   11 1
     8    4   18 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   22 am
    19   15   16 2
    20   16   20 am
    21   17   20 1
    22   18   19 1
    23   20   21 2
    24   22   23 2
    25   22   24 1
    26    5   25 1
    27    5   26 1
    28    5   27 1
    29    9   28 1
    30    9   29 1
    31   10   30 1
    32   10   31 1
    33   10   32 1
    34   12   33 1
    35   13   34 1
    36   15   35 1
    37   19   36 1
    38   19   37 1
    39   19   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1879
  Crash		| -1.1561
  Polar		| 3.7025
  FragIndex	| 1
  FragRMSD	| 0.464