@<TRIPOS>MOLECULE
BindingDB_50169625
 62 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        -0.8352   64.3551   84.5378  N     
2    C        -0.8181   63.9049   85.8082  C     
3    S         2.0964   69.5605   81.4411  S     
4    N         0.0187   65.2695   84.0927  N     
5    C         0.9873   65.7853   84.9157  C     
6    C         0.1586   64.3832   86.6633  C     
7    N         1.0093   65.2892   86.1952  N     
8    N        -2.4473   62.8742   84.7416  N     
9    C        -1.8487   62.9751   85.9419  C     
10   C        -1.8269   63.7146   83.8891  C     
11   C         1.9165   66.7917   84.4719  C     
12   N         2.2958   71.2484   81.4309  N     
13   C         2.4683   68.6012   82.8602  C     
14   C         1.5936   67.6024   83.3463  C     
15   O         3.0277   69.0054   80.2776  O     
16   O         0.6759   69.1679   80.8370  O     
17   N         2.3376   73.3491   83.4101  N     
18   C         1.1564   72.1309   81.4905  C     
19   C         3.5733   71.8309   81.7561  C     
20   C         3.1591   67.0335   85.1371  C     
21   O         0.2666   63.9463   87.9060  O     
22   C         3.6904   68.8169   83.5278  C     
23   C         4.0057   68.0687   84.6774  C     
24   C         3.5037   72.4346   83.1862  C     
25   C         1.0642   72.7144   82.9267  C     
26   C        -2.2326   62.2126   87.1423  C     
27   C        -2.1915   63.8821   82.4728  C     
28   O         3.5314   66.3026   86.2454  O     
29   C         2.5615   74.7691   82.9723  C     
30   O         3.4609   76.9177   83.7743  O     
31   C         3.5773   75.5026   83.8887  C     
32   C         4.7957   65.6170   86.1572  C     
33   C         5.0955   64.9125   87.4950  C     
34   H         0.7052   67.4608   82.8579  H     
35   H         2.2248   73.4011   84.4285  H     
36   H         1.2767   72.9547   80.7783  H     
37   H         0.2208   71.6190   81.2426  H     
38   H         4.3776   71.0807   81.7333  H     
39   H         3.8086   72.6265   81.0273  H     
40   H         1.2184   63.7446   88.0300  H     
41   H         4.3537   69.5300   83.1726  H     
42   H         4.8784   68.2811   85.1697  H     
43   H         4.4462   72.9378   83.4096  H     
44   H         3.4091   71.6137   83.9001  H     
45   H         0.8430   71.8829   83.6007  H     
46   H         0.2214   73.4126   82.9909  H     
47   H        -1.3879   61.6115   87.4854  H     
48   H        -3.0700   61.5434   86.9355  H     
49   H        -2.5286   62.9009   87.9368  H     
50   H        -2.4617   64.9226   82.2842  H     
51   H        -3.0384   63.2429   82.2102  H     
52   H        -1.3392   63.6141   81.8464  H     
53   H         2.9192   74.8180   81.9384  H     
54   H         1.6197   75.3240   83.0153  H     
55   H         2.5888   77.1262   84.1767  H     
56   H         3.4113   75.2337   84.9342  H     
57   H         4.5985   75.2276   83.6209  H     
58   H         4.7782   64.8703   85.3583  H     
59   H         5.6028   66.3256   85.9531  H     
60   H         5.1516   65.6408   88.3067  H     
61   H         6.0519   64.3888   87.4259  H     
62   H         4.3143   64.1874   87.7238  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   10 1
     4    2    6 1
     5    2    9 2
     6    3   12 1
     7    3   13 1
     8    3   15 2
     9    3   16 2
    10    4    5 2
    11    5    7 1
    12    5   11 1
    13    6    7 2
    14    6   21 1
    15    8    9 1
    16    8   10 2
    17    9   26 1
    18   10   27 1
    19   11   14 2
    20   11   20 1
    21   12   18 1
    22   12   19 1
    23   13   14 1
    24   13   22 2
    25   17   24 1
    26   17   25 1
    27   17   29 1
    28   18   25 1
    29   19   24 1
    30   20   23 2
    31   20   28 1
    32   22   23 1
    33   28   32 1
    34   29   31 1
    35   30   31 1
    36   32   33 1
    37   14   34 1
    38   17   35 1
    39   18   36 1
    40   18   37 1
    41   19   38 1
    42   19   39 1
    43   21   40 1
    44   22   41 1
    45   23   42 1
    46   24   43 1
    47   24   44 1
    48   25   45 1
    49   25   46 1
    50   26   47 1
    51   26   48 1
    52   26   49 1
    53   27   50 1
    54   27   51 1
    55   27   52 1
    56   29   53 1
    57   29   54 1
    58   30   55 1
    59   31   56 1
    60   31   57 1
    61   32   58 1
    62   32   59 1
    63   33   60 1
    64   33   61 1
    65   33   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3409
  Crash		| -1.9720
  Polar		| 1.3883
  FragIndex	| 1
  FragRMSD	| 0.635