@<TRIPOS>MOLECULE
BindingDB_50195207
 52 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.5270   -1.4414   12.1196  C     
2    C        12.0326   -0.3453   11.3810  C     
3    C        12.8399    0.2752   10.4067  C     
4    C        13.8409   -1.9107   11.8893  C     
5    C        14.6685   -1.2695   10.9380  C     
6    C        14.1532   -0.1799   10.1904  C     
7    N        14.9673    0.4212    9.2691  N     
8    C        16.2402    0.0598    9.1099  C     
9    C        16.8082   -0.9392    9.8784  C     
10   C        16.0050   -1.6238   10.7350  C     
11   O        16.8456    0.5741    8.1775  O     
12   C        18.1712   -1.2515    9.7668  C     
13   N        19.1407   -0.4693    9.2295  N     
14   C        18.7677   -2.4761   10.0923  C     
15   C        20.0834   -2.4234    9.6690  C     
16   C        20.3005   -1.1446    9.1561  C     
17   C        21.5651   -0.7794    8.6515  C     
18   C        22.5860   -1.7534    8.6189  C     
19   C        22.3441   -3.0901    9.0535  C     
20   C        21.0774   -3.4111    9.6183  C     
21   C        23.3538   -4.1660    8.8619  C     
22   N        22.8767   -5.2149    7.8880  N     
23   C        23.4203   -6.5882    8.1283  C     
24   C        24.8822   -6.7443    7.6212  C     
25   C        24.9826   -6.3748    6.1177  C     
26   C        24.4055   -4.9619    5.8508  C     
27   C        22.9752   -4.8192    6.4418  C     
28   C        11.7837   -2.0086   13.0306  C     
29   N        11.1279   -2.4983   13.8328  N     
30   H        11.0864    0.0139   11.5442  H     
31   H        12.4749    1.0732    9.8825  H     
32   H        14.2077   -2.7061   12.4226  H     
33   H        14.5926    1.1102    8.6989  H     
34   H        16.3862   -2.3482   11.3008  H     
35   H        19.0203    0.4405    8.9064  H     
36   H        18.3044   -3.3006   10.4876  H     
37   H        21.7362    0.1674    8.2950  H     
38   H        23.5050   -1.4956    8.2344  H     
39   H        20.8598   -4.3554    9.9494  H     
40   H        24.2707   -3.6782    8.5066  H     
41   H        23.6211   -4.6089    9.8222  H     
42   H        21.8731   -5.3104    8.0655  H     
43   H        23.3778   -6.8388    9.1946  H     
44   H        22.7815   -7.3133    7.6106  H     
45   H        25.5456   -6.0930    8.1975  H     
46   H        25.2061   -7.7784    7.7663  H     
47   H        26.0337   -6.4127    5.8031  H     
48   H        24.4185   -7.1089    5.5334  H     
49   H        25.0679   -4.2116    6.2949  H     
50   H        24.3639   -4.7894    4.7698  H     
51   H        22.2927   -5.4590    5.8698  H     
52   H        22.6479   -3.7819    6.3034  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   28 1
     4    2    3 1
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15   12   13 1
    16   12   14 2
    17   13   16 1
    18   14   15 1
    19   15   16 2
    20   15   20 1
    21   16   17 1
    22   17   18 2
    23   18   19 1
    24   19   20 2
    25   19   21 1
    26   21   22 1
    27   22   23 1
    28   22   27 1
    29   23   24 1
    30   24   25 1
    31   25   26 1
    32   26   27 1
    33   28   29 3
    34    2   30 1
    35    3   31 1
    36    4   32 1
    37    7   33 1
    38   10   34 1
    39   13   35 1
    40   14   36 1
    41   17   37 1
    42   18   38 1
    43   20   39 1
    44   21   40 1
    45   21   41 1
    46   22   42 1
    47   23   43 1
    48   23   44 1
    49   24   45 1
    50   24   46 1
    51   25   47 1
    52   25   48 1
    53   26   49 1
    54   26   50 1
    55   27   51 1
    56   27   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.4062
  Crash		| -1.0776
  Polar		| 4.0098
  FragIndex	| 1
  FragRMSD	| 0.761