@<TRIPOS>MOLECULE
BindingDB_50350768
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        37.3056   56.4518   48.2936  N     
2    C        38.5590   56.8857   47.9846  C     
3    N        38.7192   58.1467   47.5032  N     
4    C        36.2256   57.2196   48.1549  C     
5    C        36.3258   58.5716   47.7699  C     
6    C        37.6317   58.9544   47.3932  C     
7    S        37.6244   60.5495   46.7744  S     
8    C        35.3659   59.6247   47.6305  C     
9    C        35.9427   60.7695   47.0292  C     
10   C        35.2349   61.9326   46.7114  C     
11   C        33.8640   61.9690   47.0062  C     
12   C        33.2486   60.8851   47.6555  C     
13   C        33.9912   59.7278   48.0245  C     
14   O        35.1684   56.6076   48.1948  O     
15   C        33.2996   58.7402   48.9040  C     
16   N        32.2718   59.2211   49.7853  N     
17   C        32.4495   59.8486   50.9749  C     
18   C        31.8191   59.2786   52.1064  C     
19   C        32.0558   59.7824   53.3893  C     
20   C        32.8803   60.9210   53.5767  C     
21   C        33.4327   61.5487   52.4370  C     
22   C        33.2381   61.0060   51.1609  C     
23   C        33.1134   61.4255   54.8639  C     
24   N        34.3532   61.7536   55.2416  N     
25   O        32.1704   61.6352   55.5950  O     
26   C        34.7434   62.4723   56.4345  C     
27   C        34.3106   63.9810   56.3445  C     
28   C        34.3507   61.7648   57.6907  C     
29   C        32.7698   64.2055   56.2466  C     
30   C        32.3796   65.5907   56.5665  C     
31   C        39.7049   55.9747   48.1286  C     
32   O        33.0529   61.5515   58.0318  O     
33   O        35.3327   61.3124   58.5216  O     
34   O        31.7931   65.8661   57.7539  O     
35   O        32.6672   66.6030   55.7084  O     
36   H        37.1816   55.5400   48.6043  H     
37   H        35.6925   62.7238   46.2453  H     
38   H        33.3169   62.7987   46.7625  H     
39   H        32.2657   60.9805   47.9101  H     
40   H        32.8449   57.9775   48.2676  H     
41   H        34.0013   58.2741   49.5918  H     
42   H        31.3657   58.9216   49.5811  H     
43   H        31.2855   58.4072   52.0074  H     
44   H        31.6599   59.2923   54.2003  H     
45   H        34.0096   62.3987   52.5120  H     
46   H        33.6851   61.4809   50.3660  H     
47   H        35.0852   61.4900   54.6534  H     
48   H        35.8488   62.4640   56.4367  H     
49   H        34.7226   64.5123   57.2201  H     
50   H        34.7925   64.4171   55.4620  H     
51   H        32.4296   63.9189   55.2294  H     
52   H        32.2603   63.5275   56.9654  H     
53   H        39.8028   55.6627   49.1699  H     
54   H        40.6274   56.4723   47.8220  H     
55   H        39.5534   55.1001   47.4987  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    2    3 2
     4    2   31 1
     5    3    6 1
     6    4    5 1
     7    4   14 2
     8    5    6 2
     9    5    8 1
    10    6    7 1
    11    7    9 1
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15   10   11 2
    16   11   12 1
    17   12   13 2
    18   13   15 1
    19   15   16 1
    20   16   17 1
    21   17   18 2
    22   17   22 1
    23   18   19 1
    24   19   20 2
    25   20   21 1
    26   20   23 1
    27   21   22 2
    28   23   24 am
    29   23   25 2
    30   26   24 1
    31   26   27 1
    32   26   28 1
    33   27   29 1
    34   28   32 1
    35   28   33 2
    36   29   30 1
    37   30   34 1
    38   30   35 2
    39    1   36 1
    40   10   37 1
    41   11   38 1
    42   12   39 1
    43   15   40 1
    44   15   41 1
    45   16   42 1
    46   18   43 1
    47   19   44 1
    48   21   45 1
    49   22   46 1
    50   24   47 1
    51   26   48 1
    52   27   49 1
    53   27   50 1
    54   29   51 1
    55   29   52 1
    56   31   53 1
    57   31   54 1
    58   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2707
  Crash		| -1.1718
  Polar		| 1.1219
  FragIndex	| 1
  FragRMSD	| 1.261