@<TRIPOS>MOLECULE
BindingDB_50216507
 36 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.1790   13.9802  114.1674  C     
2    C        19.0272   14.3972  112.8318  C     
3    C        18.1575   13.7203  111.9356  C     
4    C        17.4293   12.6149  112.4457  C     
5    C        17.5365   12.2219  113.7988  C     
6    C        18.4257   12.9006  114.6537  C     
7    C        17.9447   14.1439  110.5024  C     
8    N        16.5774   14.4658  110.3595  N     
9    C        16.1527   15.6675  110.1084  C     
10   N        16.9996   16.6413  109.9693  N     
11   C        18.2978   16.4723  109.8443  C     
12   C        18.8312   15.2279  109.9895  C     
13   S        14.5118   15.9123  109.7155  S     
14   C        20.1188   14.9126  109.6555  C     
15   O        20.8558   14.4739  110.5284  O     
16   O        16.7886   11.2061  114.3044  O     
17   C        19.0379   17.6956  109.5589  C     
18   C        20.5906   14.9835  108.3525  C     
19   C        21.8767   14.6750  107.9016  C     
20   C        21.9058   14.8911  106.5341  C     
21   C        20.6457   15.3499  106.1797  C     
22   O        19.8630   15.3971  107.2838  O     
23   H        19.8189   14.4768  114.7926  H     
24   H        19.5696   15.2085  112.5262  H     
25   H        16.7953   12.1016  111.8244  H     
26   H        18.5221   12.6162  115.6323  H     
27   H        18.1130   13.2667  109.8638  H     
28   H        15.9436   13.7893  110.4864  H     
29   H        16.6575   17.5025  109.8498  H     
30   H        16.0898   11.0092  113.6493  H     
31   H        18.7331   18.0898  108.5909  H     
32   H        20.1153   17.5488  109.5401  H     
33   H        18.8253   18.4453  110.3261  H     
34   H        22.6577   14.3291  108.4628  H     
35   H        22.7017   14.7397  105.9096  H     
36   H        20.3431   15.5997  105.2365  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    5   16 1
     9    7    8 1
    10    7   12 1
    11    8    9 1
    12    9   10 1
    13    9   13 2
    14   10   11 1
    15   11   12 2
    16   11   17 1
    17   12   14 1
    18   14   15 2
    19   14   18 1
    20   18   19 2
    21   18   22 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    1   23 1
    26    2   24 1
    27    4   25 1
    28    6   26 1
    29    7   27 1
    30    8   28 1
    31   10   29 1
    32   16   30 1
    33   17   31 1
    34   17   32 1
    35   17   33 1
    36   19   34 1
    37   20   35 1
    38   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4963
  Crash		| -1.5178
  Polar		| 1.0633
  FragIndex	| 1
  FragRMSD	| 0.386