@<TRIPOS>MOLECULE
BindingDB_5595
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.3284   45.7021   51.7570  C     
2    C         7.9407   43.9309   50.2679  C     
3    C         9.6298   45.3908   51.0838  C     
4    C         8.6757   46.1249   51.8310  C     
5    N         7.0196   44.6244   50.9841  N     
6    N         9.2336   44.3366   50.3252  N     
7    O         6.3713   46.4325   52.4354  O     
8    N        10.9409   45.6814   51.0833  N     
9    N         7.6321   42.8686   49.4881  N     
10   C         4.9672   46.2681   52.1473  C     
11   C         4.2981   45.1828   53.0452  C     
12   C         4.1635   45.6277   54.5336  C     
13   C         3.0033   46.6289   54.7903  C     
14   C         1.6591   46.0992   54.2336  C     
15   C         1.7711   45.7108   52.7397  C     
16   C         2.9210   44.6972   52.5013  C     
17   C         6.4286   42.2299   49.3986  C     
18   C         4.3871   41.3019   50.3887  C     
19   C         4.0058   40.7768   49.1381  C     
20   C         4.8434   40.9712   48.0176  C     
21   C         6.0512   41.6828   48.1513  C     
22   C         5.5931   42.0095   50.5195  C     
23   N         1.2160   40.7476   49.4951  N     
24   S         2.5488   39.8310   49.0385  S     
25   O         2.3314   39.1821   47.6028  O     
26   O         2.7373   38.6868   50.1281  O     
27   N         8.9495   47.2090   52.5936  N     
28   O        10.0239   47.7105   52.8056  O     
29   H        11.5537   45.1530   50.5546  H     
30   H        11.2843   46.4133   51.6148  H     
31   H         8.3350   42.5352   48.9061  H     
32   H         4.4892   47.2308   52.3280  H     
33   H         4.8228   46.0470   51.0878  H     
34   H         4.9631   44.3156   53.0313  H     
35   H         3.9881   44.7386   55.1468  H     
36   H         5.1011   46.0706   54.8779  H     
37   H         2.9079   46.7998   55.8663  H     
38   H         3.2352   47.5905   54.3250  H     
39   H         1.3475   45.2251   54.8126  H     
40   H         0.8906   46.8670   54.3507  H     
41   H         0.8262   45.2674   52.4092  H     
42   H         1.9453   46.6097   52.1412  H     
43   H         2.9965   44.4769   51.4343  H     
44   H         2.6617   43.7559   52.9971  H     
45   H         3.8068   41.1502   51.2190  H     
46   H         4.5928   40.5822   47.1042  H     
47   H         6.6543   41.8050   47.3308  H     
48   H         5.8741   42.3264   51.4499  H     
49   H         0.4040   40.3101   49.8034  H     
50   H         1.2805   41.7212   49.5127  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1    7 1
     4    2    5 1
     5    2    6 2
     6    2    9 1
     7    3    4 2
     8    3    6 1
     9    3    8 1
    10    4   27 1
    11    7   10 1
    12    9   17 1
    13   10   11 1
    14   11   12 1
    15   11   16 1
    16   12   13 1
    17   13   14 1
    18   14   15 1
    19   15   16 1
    20   17   21 2
    21   17   22 1
    22   18   19 1
    23   18   22 2
    24   19   20 2
    25   19   24 1
    26   20   21 1
    27   23   24 am
    28   24   25 2
    29   24   26 2
    30   27   28 2
    31    8   29 1
    32    8   30 1
    33    9   31 1
    34   10   32 1
    35   10   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   13   37 1
    40   13   38 1
    41   14   39 1
    42   14   40 1
    43   15   41 1
    44   15   42 1
    45   16   43 1
    46   16   44 1
    47   18   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   23   49 1
    52   23   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.1894
  Crash		| -0.6639
  Polar		| 4.3162
  FragIndex	| 1
  FragRMSD	| 0.615