@<TRIPOS>MOLECULE
BindingDB_14787
 39 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        43.2647    2.4033   63.0016  C     
2    C        43.6220    1.6029   64.1005  C     
3    C        42.4048    1.1760   64.6351  C     
4    N        41.4245    1.6594   63.8567  N     
5    N        41.9079    2.3760   62.8921  N     
6    C        44.9126    1.3011   64.6095  C     
7    O        45.0710    0.6449   65.7845  O     
8    O        46.0234    1.7063   63.9346  O     
9    C        47.4061    1.5503   64.2763  C     
10   C        48.2587    2.4479   63.3672  C     
11   C        41.0865    2.9577   61.9466  C     
12   C        41.4684    2.9632   60.5860  C     
13   C        40.6689    3.5716   59.5989  C     
14   C        39.4206    4.1147   59.9412  C     
15   C        39.8230    3.5109   62.2807  C     
16   C        38.9843    4.0786   61.2771  C     
17   C        37.7283    4.6057   61.6521  C     
18   C        37.3224    4.5738   62.9976  C     
19   C        38.1848    4.0218   63.9587  C     
20   N        39.3825    3.5205   63.5667  N     
21   C        42.1576    0.3564   65.8361  C     
22   C        44.2087    3.2050   62.1868  C     
23   H        47.5380    1.8766   65.3092  H     
24   H        47.7378    0.5159   64.1911  H     
25   H        48.0937    2.1820   62.3200  H     
26   H        49.3157    2.3253   63.6047  H     
27   H        47.9843    3.4961   63.5142  H     
28   H        42.3490    2.5214   60.2982  H     
29   H        40.9852    3.5974   58.6256  H     
30   H        38.8400    4.5306   59.2091  H     
31   H        37.0998    5.0086   60.9513  H     
32   H        36.4150    4.9639   63.2764  H     
33   H        37.9156    3.9920   64.9445  H     
34   H        42.6440   -0.6157   65.7418  H     
35   H        41.0886    0.1927   65.9899  H     
36   H        42.5525    0.8663   66.7150  H     
37   H        44.8649    3.7881   62.8260  H     
38   H        43.6941    3.9052   61.5282  H     
39   H        44.8167    2.5421   61.5773  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   22 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   21 1
     8    4    5 1
     9    5   11 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   11   12 2
    15   11   15 1
    16   12   13 1
    17   13   14 2
    18   14   16 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25    9   23 1
    26    9   24 1
    27   10   25 1
    28   10   26 1
    29   10   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   21   35 1
    38   21   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.8992
  Crash		| -0.7149
  Polar		| 0.9701
  FragIndex	| 1
  FragRMSD	| 0.208