@<TRIPOS>MOLECULE
BindingDB_50331791
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N       -27.0298  -25.0997   13.8594  N     
2    C       -27.8751  -25.9785   14.4779  C     
3    N       -28.6935  -25.5537   15.4801  N     
4    C       -26.9628  -23.7879   14.2172  C     
5    C       -27.7995  -23.3417   15.2535  C     
6    C       -28.6646  -24.2506   15.8646  C     
7    N       -29.3569  -23.5828   16.8074  N     
8    C       -28.9128  -22.3047   16.7670  C     
9    N       -27.9597  -22.1422   15.8279  N     
10   N       -26.1319  -22.9575   13.5679  N     
11   C       -30.3648  -24.0998   17.6963  C     
12   C       -31.5706  -24.7570   16.9915  C     
13   C       -32.1240  -25.6603   18.1047  C     
14   C       -30.8506  -26.0224   18.9203  C     
15   O       -29.8022  -25.1200   18.5311  O     
16   C       -30.3775  -27.4031   18.7059  C     
17   O       -30.5295  -28.3577   19.6548  O     
18   O       -29.9040  -27.7742   17.4907  O     
19   O       -33.0586  -24.9618   18.9374  O     
20   O       -32.5305  -23.8087   16.5166  O     
21   H       -27.8867  -26.9591   14.1912  H     
22   H       -29.2352  -21.5521   17.3774  H     
23   H       -26.0919  -22.0192   13.8099  H     
24   H       -25.5878  -23.2957   12.8412  H     
25   H       -30.7324  -23.3049   18.3551  H     
26   H       -31.2337  -25.3792   16.1544  H     
27   H       -32.6203  -26.5386   17.6808  H     
28   H       -31.0401  -25.8881   19.9893  H     
29   H       -33.8366  -24.8041   18.3645  H     
30   H       -32.0698  -23.3269   15.7968  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    3    6 2
     5    4    5 2
     6    4   10 1
     7    5    6 1
     8    5    9 1
     9    6    7 1
    10    7    8 1
    11   11    7 1
    12    8    9 2
    13   11   12 1
    14   11   15 1
    15   12   13 1
    16   12   20 1
    17   13   14 1
    18   13   19 1
    19   14   15 1
    20   14   16 1
    21   16   17 1
    22   16   18 2
    23    2   21 1
    24    8   22 1
    25   10   23 1
    26   10   24 1
    27   11   25 1
    28   12   26 1
    29   13   27 1
    30   14   28 1
    31   19   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.4434
  Crash		| -0.6258
  Polar		| 2.9686
  FragIndex	| 1
  FragRMSD	| 0.072