@<TRIPOS>MOLECULE
BindingDB_18788
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.4602    5.6386   61.9556  C     
2    C        28.7913    5.5940   60.5874  C     
3    C        28.0072    4.8486   59.6832  C     
4    C        26.8811    4.1550   60.1736  C     
5    C        26.5533    4.1966   61.5417  C     
6    C        27.3458    4.9341   62.4361  C     
7    C        28.3597    4.7849   58.3088  C     
8    C        29.4009    3.9263   57.8718  C     
9    C        29.1780    4.7106   55.6493  C     
10   C        27.7306    5.6020   57.3280  C     
11   N        30.0881    3.1209   58.7010  N     
12   N        29.5776    4.7420   54.3669  N     
13   N        29.7749    3.9128   56.5640  N     
14   N        28.1754    5.5270   56.0459  N     
15   C        26.6587    6.6037   57.5766  C     
16   C        25.4596    6.4415   56.6101  C     
17   H        29.0385    6.1805   62.6045  H     
18   H        29.6133    6.1085   60.2611  H     
19   H        26.2901    3.6111   59.5394  H     
20   H        25.7362    3.6830   61.8901  H     
21   H        27.1123    4.9595   63.4325  H     
22   H        30.7973    2.5665   58.3471  H     
23   H        29.9147    3.1186   59.6545  H     
24   H        29.1671    5.3663   53.7391  H     
25   H        30.3039    4.1684   54.0658  H     
26   H        26.2739    6.5522   58.5968  H     
27   H        27.0876    7.6009   57.4405  H     
28   H        25.7708    6.6327   55.5820  H     
29   H        24.6738    7.1526   56.8687  H     
30   H        25.0548    5.4301   56.6754  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    7    8 1
     9    7   10 2
    10    8   11 1
    11    8   13 2
    12    9   12 1
    13    9   13 1
    14    9   14 2
    15   10   14 1
    16   10   15 1
    17   15   16 1
    18    1   17 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4000
  Crash		| -0.4390
  Polar		| 2.8985
  FragIndex	| 1
  FragRMSD	| 0.279