@<TRIPOS>MOLECULE
BindingDB_50192417
 36 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.1718   53.6052   30.4328  C     
2    C        -0.6700   52.7395   29.6946  C     
3    C        -0.3705   52.4239   28.3559  C     
4    C         1.3340   54.1377   29.8363  C     
5    C         1.6601   53.7913   28.5143  C     
6    C         0.7896   52.9757   27.7799  C     
7    N         1.2535   52.8576   26.5266  N     
8    C         2.7154   54.1289   27.6559  C     
9    C         2.3966   53.5639   26.4213  C     
10   C         3.2175   53.7309   25.2962  C     
11   C         4.4084   54.5200   25.3447  C     
12   C         3.9527   54.7923   27.7722  C     
13   C         4.8038   54.9600   26.6562  C     
14   C         5.9212   55.5676   27.1938  C     
15   N         5.7697   55.7310   28.4833  N     
16   C         4.5998   55.2934   28.8681  C     
17   O         7.0034   55.8269   26.6875  O     
18   O         4.2521   55.2984   30.0377  O     
19   O        -0.1067   53.9645   31.7132  O     
20   C         5.0772   54.8019   24.0857  C     
21   C         4.3370   54.8123   22.8664  C     
22   C         4.9742   54.9834   21.6244  C     
23   N         6.3013   55.2201   21.5794  N     
24   C         7.0555   55.2809   22.6987  C     
25   C         6.4674   55.0527   23.9544  C     
26   H        -1.5074   52.3495   30.1301  H     
27   H        -0.9846   51.8183   27.8071  H     
28   H         1.9107   54.7802   30.3705  H     
29   H         0.8304   52.3499   25.8148  H     
30   H         2.9106   53.2631   24.4393  H     
31   H         6.4390   56.1066   29.0760  H     
32   H        -0.6074   53.2241   32.1121  H     
33   H         3.3208   54.7032   22.8549  H     
34   H         4.4419   54.9360   20.7564  H     
35   H         8.0564   55.4688   22.6213  H     
36   H         7.0895   55.0450   24.7465  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   19 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    6    7 1
    10    7    9 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   11   20 1
    17   12   13 2
    18   12   16 1
    19   13   14 1
    20   14   15 1
    21   14   17 2
    22   15   16 1
    23   16   18 2
    24   20   21 2
    25   20   25 1
    26   21   22 1
    27   22   23 2
    28   23   24 1
    29   24   25 2
    30    2   26 1
    31    3   27 1
    32    4   28 1
    33    7   29 1
    34   10   30 1
    35   15   31 1
    36   19   32 1
    37   21   33 1
    38   22   34 1
    39   24   35 1
    40   25   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9064
  Crash		| -0.7340
  Polar		| 4.5184
  FragIndex	| 1
  FragRMSD	| 0.584