@<TRIPOS>MOLECULE
BindingDB_50118628
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        33.3324   24.0748   85.4510  N     
2    C        33.7799   23.3742   84.3864  C     
3    N        35.0796   23.3150   84.1145  N     
4    C        31.9040   24.1744   85.7407  C     
5    C        34.2598   24.7006   86.2396  C     
6    C        35.5856   24.6584   85.9723  C     
7    C        35.9777   23.9395   84.8658  C     
8    P        31.1351   26.7298   90.2512  P     
9    O        31.5457   25.0266   86.8494  O     
10   C        31.2844   22.8086   86.1020  C     
11   N        28.2603   21.9454   86.1923  N     
12   C        30.2185   24.6707   87.2746  C     
13   C        30.0247   23.1673   86.9246  C     
14   N        27.6882   20.9351   86.1566  N     
15   N        28.8271   22.9645   86.2431  N     
16   C        30.0063   24.9318   88.7909  C     
17   O        33.0450   22.7553   83.6307  O     
18   O        30.0646   26.3148   89.1929  O     
19   O        32.1824   25.6350   90.5408  O     
20   O        31.8971   27.9827   89.7895  O     
21   O        30.4743   27.0561   91.4855  O     
22   O        37.1523   23.8202   84.5509  O     
23   C        36.5552   25.3804   86.7951  C     
24   H        35.3737   22.8093   83.3405  H     
25   H        31.3934   24.5791   84.8557  H     
26   H        33.9652   25.2140   87.0391  H     
27   H        31.0447   22.2137   85.2077  H     
28   H        31.9946   22.2355   86.7109  H     
29   H        29.5205   25.3054   86.7162  H     
30   H        30.0187   22.5452   87.8295  H     
31   H        27.6920   20.3659   86.9011  H     
32   H        28.9947   24.5977   89.0399  H     
33   H        30.6942   24.3096   89.3667  H     
34   H        36.9734   26.2135   86.2175  H     
35   H        37.3797   24.7089   87.0916  H     
36   H        36.1192   25.7906   87.7140  H     
@<TRIPOS>BOND
     1    1    2 1
     2    4    1 1
     3    1    5 1
     4    2    3 1
     5    2   17 2
     6    3    7 1
     7    4    9 1
     8    4   10 1
     9    5    6 2
    10    6    7 1
    11    6   23 1
    12    7   22 2
    13    8   18 1
    14    8   19 1
    15    8   20 1
    16    8   21 2
    17    9   12 1
    18   10   13 1
    19   11   14 2
    20   11   15 2
    21   12   13 1
    22   12   16 1
    23   13   15 1
    24   16   18 1
    25    3   24 1
    26    4   25 1
    27    5   26 1
    28   10   27 1
    29   10   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   16   33 1
    35   23   34 1
    36   23   35 1
    37   23   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.5282
  Crash		| -0.6209
  Polar		| 5.8009
  FragIndex	| 1
  FragRMSD	| 0.885