@<TRIPOS>MOLECULE
BindingDB_7748
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.8641  206.7525  110.0142  C     
2    C       -13.8194  206.9184  111.3819  C     
3    C       -12.5092  207.3093  111.1343  C     
4    C       -14.4917  207.0338  110.1575  C     
5    N       -13.6173  207.4502  109.2419  N     
6    C       -12.4441  207.6049  109.8090  C     
7    O       -11.4860  208.0318  109.1786  O     
8    N       -10.2739  207.8230  111.7273  N     
9    C        -9.3274  208.3617  112.5403  C     
10   C        -7.2029  209.4424  114.1165  C     
11   C        -6.9934  209.0899  112.7672  C     
12   C        -8.0424  208.5633  111.9897  C     
13   C        -9.5453  208.7619  113.8828  C     
14   C        -8.4996  209.2938  114.6583  C     
15   O        -4.5669  210.1647  114.2350  O     
16   S        -5.9125  210.1188  115.0851  S     
17   O        -6.3002  211.6428  115.3037  O     
18   C       -16.5834  206.2971  111.1354  C     
19   C       -11.5226  207.4571  112.0403  C     
20   N        -5.5609  209.4068  116.5821  N     
21   C        -4.3782  209.8587  117.2583  C     
22   C       -15.9172  206.1624  112.3693  C     
23   C       -15.6184  205.7333  114.5012  C     
24   C       -14.5584  206.4787  112.5093  C     
25   S       -14.0264  206.2363  114.1410  S     
26   N       -16.4730  205.7331  113.5071  N     
27   C        -6.5950  208.7213  117.3058  C     
28   H       -16.3297  206.8765  109.1093  H     
29   H       -13.8208  207.6204  108.3107  H     
30   H       -10.0054  207.6873  110.8085  H     
31   H        -6.0764  209.2218  112.3330  H     
32   H        -7.8548  208.3230  111.0107  H     
33   H       -10.4718  208.6872  114.3068  H     
34   H        -8.6957  209.5889  115.6170  H     
35   H       -17.5773  206.0729  111.0520  H     
36   H       -11.7280  207.2701  112.9902  H     
37   H        -3.5141  209.7951  116.5954  H     
38   H        -4.1544  209.2491  118.1343  H     
39   H        -4.5006  210.8948  117.5794  H     
40   H       -15.8821  205.4472  115.4131  H     
41   H        -7.3482  209.4392  117.6489  H     
42   H        -6.2008  208.1953  118.1802  H     
43   H        -7.0654  207.9700  116.6694  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   24 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   22 2
    24   20   21 1
    25   20   27 1
    26   22   24 1
    27   22   26 1
    28   23   25 1
    29   23   26 2
    30   24   25 1
    31    1   28 1
    32    5   29 1
    33    8   30 1
    34   11   31 1
    35   12   32 1
    36   13   33 1
    37   14   34 1
    38   18   35 1
    39   19   36 1
    40   21   37 1
    41   21   38 1
    42   21   39 1
    43   23   40 1
    44   27   41 1
    45   27   42 1
    46   27   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9837
  Crash		| -0.4888
  Polar		| 4.2582
  FragIndex	| 1
  FragRMSD	| 0.172