@<TRIPOS>MOLECULE
BindingDB_50298711
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        40.5887    2.9114   23.7197  O     
2    C        40.7940    1.8014   24.5804  C     
3    C        39.5033    0.9695   24.7673  C     
4    C        38.9670    0.3154   23.4803  C     
5    O        39.7023   -0.8692   23.1630  O     
6    C        37.4706    0.0893   23.8104  C     
7    C        37.1932    1.1855   24.8851  C     
8    O        38.4441    1.8084   25.2296  O     
9    N        36.2719    2.2458   24.4843  N     
10   C        35.1267    2.4986   25.1556  C     
11   O        34.6950    1.7956   26.0589  O     
12   N        34.4046    3.5779   24.8710  N     
13   C        34.7614    4.4391   23.8858  C     
14   N        34.0324    5.5512   23.6849  N     
15   C        35.8898    4.1654   23.1318  C     
16   C        36.6180    3.0784   23.4507  C     
17   P        36.8903   -2.4216   23.4567  P     
18   O        35.5762   -2.3144   22.8720  O     
19   O        37.2246   -1.2168   24.3921  O     
20   O        37.9279   -2.6794   22.3453  O     
21   O        36.8657   -3.6857   24.3441  O     
22   H        39.9370    3.4802   24.1769  H     
23   H        41.5822    1.1798   24.1591  H     
24   H        41.1306    2.1761   25.5462  H     
25   H        39.6821    0.1948   25.5199  H     
26   H        39.0476    1.0063   22.6306  H     
27   H        40.6050   -0.5538   22.9429  H     
28   H        36.8462    0.2656   22.9259  H     
29   H        36.8607    0.6966   25.8084  H     
30   H        34.3032    6.1952   23.0124  H     
31   H        33.2589    5.7330   24.2446  H     
32   H        36.1729    4.7657   22.3945  H     
33   H        37.4442    2.9090   22.9246  H     
@<TRIPOS>BOND
     1    1    2 1
     2    3    2 1
     3    3    4 1
     4    3    8 1
     5    4    5 1
     6    4    6 1
     7    6    7 1
     8    6   19 1
     9    7    8 1
    10    7    9 1
    11    9   10 1
    12    9   16 1
    13   10   11 2
    14   10   12 1
    15   12   13 2
    16   13   14 1
    17   13   15 1
    18   15   16 2
    19   17   18 2
    20   17   19 1
    21   17   20 1
    22   17   21 1
    23    1   22 1
    24    2   23 1
    25    2   24 1
    26    3   25 1
    27    4   26 1
    28    5   27 1
    29    6   28 1
    30    7   29 1
    31   14   30 1
    32   14   31 1
    33   15   32 1
    34   16   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7224
  Crash		| -0.4848
  Polar		| 6.9529
  FragIndex	| 1
  FragRMSD	| 0.088