@<TRIPOS>MOLECULE
BindingDB_10849
 24 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        92.0542   68.6134   -3.8576  C     
2    C        91.0606   68.1525   -4.7129  C     
3    N        93.3134   68.9414   -4.3046  N     
4    N        92.6296   68.3088   -6.4895  N     
5    C        93.5696   68.7662   -5.6205  C     
6    C        91.3770   68.0243   -6.0573  C     
7    N        91.5417   68.6886   -2.6194  N     
8    N        89.9477   67.9533   -3.9720  N     
9    C        90.2657   68.2827   -2.7012  C     
10   O        94.6937   69.0335   -6.0382  O     
11   O        90.4843   67.6582   -6.8119  O     
12   C        94.2650   69.4508   -3.3407  C     
13   C        92.9827   68.1163   -7.8858  C     
14   C        88.6640   67.5015   -4.4125  C     
15   H        89.6319   68.2567   -1.8975  H     
16   H        93.8998   70.3834   -2.8957  H     
17   H        95.2487   69.6589   -3.7677  H     
18   H        94.4129   68.7285   -2.5338  H     
19   H        93.3073   69.0609   -8.3294  H     
20   H        92.1669   67.7383   -8.5087  H     
21   H        93.7998   67.3923   -7.9633  H     
22   H        88.2678   68.1748   -5.1757  H     
23   H        87.9442   67.4615   -3.5905  H     
24   H        88.7558   66.4997   -4.8330  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 1
     3    1    7 1
     4    2    6 1
     5    2    8 1
     6    3    5 1
     7    3   12 1
     8    4    5 1
     9    4    6 1
    10    4   13 1
    11    5   10 2
    12    6   11 2
    13    7    9 2
    14    8    9 1
    15    8   14 1
    16    9   15 1
    17   12   16 1
    18   12   17 1
    19   12   18 1
    20   13   19 1
    21   13   20 1
    22   13   21 1
    23   14   22 1
    24   14   23 1
    25   14   24 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7495
  Crash		| -0.4364
  Polar		| 1.9989
  FragIndex	| 1
  FragRMSD	| 0.167