@<TRIPOS>MOLECULE
BindingDB_50195198
 61 65 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.4579   -1.6284   12.0813  C     
2    C        12.0323   -0.4202   11.4734  C     
3    C        12.8578    0.2805   10.5788  C     
4    C        13.7676   -2.0809   11.7908  C     
5    C        14.6272   -1.3615   10.9247  C     
6    C        14.1436   -0.1957   10.2943  C     
7    N        14.9622    0.4626    9.4221  N     
8    C        16.1992    0.0592    9.1737  C     
9    C        16.7547   -1.0492    9.7980  C     
10   C        15.9449   -1.7451   10.6459  C     
11   O        16.7789    0.7394    8.3288  O     
12   C        18.1063   -1.3971    9.6344  C     
13   N        19.0344   -0.6542    8.9614  N     
14   C        18.7872   -2.5554   10.0475  C     
15   C        20.1087   -2.4666    9.6318  C     
16   C        20.2171   -1.2509    8.9461  C     
17   C        21.4421   -0.8556    8.3662  C     
18   C        22.5403   -1.7244    8.4455  C     
19   C        22.4448   -2.9717    9.1369  C     
20   C        21.2053   -3.3242    9.7391  C     
21   C        23.5829   -3.9131    9.1644  C     
22   N        23.2973   -5.1803    8.4146  N     
23   C        23.1203   -4.9801    6.9342  C     
24   C        22.7086   -6.3023    6.2525  C     
25   C        23.7631   -7.4214    6.4930  C     
26   C        23.9946   -7.5809    8.0224  C     
27   C        24.3302   -6.2292    8.7001  C     
28   C        23.3749   -8.7842    5.8534  C     
29   N        22.9100   -8.6527    4.4646  N     
30   C        11.6019   -2.3681   12.9183  C     
31   O        11.9282   -3.4646   13.3522  O     
32   N        10.4044   -1.9617   13.2806  N     
33   H        11.0993   -0.0516   11.6463  H     
34   H        12.5142    1.1316   10.1379  H     
35   H        14.1235   -2.9419   12.2140  H     
36   H        14.6092    1.2345    8.9487  H     
37   H        16.2978   -2.5482   11.1109  H     
38   H        18.8596    0.2032    8.5471  H     
39   H        18.3958   -3.3533   10.5642  H     
40   H        21.4955    0.0295    7.8473  H     
41   H        23.4243   -1.4441    8.0092  H     
42   H        21.0904   -4.2280   10.2188  H     
43   H        24.4793   -3.4385    8.7530  H     
44   H        23.7957   -4.1327   10.2177  H     
45   H        22.4008   -5.5363    8.7653  H     
46   H        22.3273   -4.2527    6.7507  H     
47   H        24.0402   -4.5930    6.4803  H     
48   H        21.7405   -6.6261    6.6473  H     
49   H        22.5931   -6.1211    5.1792  H     
50   H        24.7103   -7.1044    6.0402  H     
51   H        23.0931   -7.9888    8.4924  H     
52   H        24.8145   -8.2823    8.2108  H     
53   H        25.3232   -5.8964    8.3689  H     
54   H        24.3842   -6.4037    9.7785  H     
55   H        24.2487   -9.4446    5.8424  H     
56   H        22.5853   -9.2696    6.4326  H     
57   H        22.0029   -8.1657    4.4715  H     
58   H        22.8010   -9.5811    4.0520  H     
59   H        23.5813   -8.1045    3.9209  H     
60   H         9.8565   -2.5330   13.8411  H     
61   H        10.0582   -1.1025   12.9892  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   30 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   25   28 1
    33   26   27 1
    34   28   29 1
    35   30   31 2
    36   30   32 am
    37    2   33 1
    38    3   34 1
    39    4   35 1
    40    7   36 1
    41   10   37 1
    42   13   38 1
    43   14   39 1
    44   17   40 1
    45   18   41 1
    46   20   42 1
    47   21   43 1
    48   21   44 1
    49   22   45 1
    50   23   46 1
    51   23   47 1
    52   24   48 1
    53   24   49 1
    54   25   50 1
    55   26   51 1
    56   26   52 1
    57   27   53 1
    58   27   54 1
    59   28   55 1
    60   28   56 1
    61   29   57 1
    62   29   58 1
    63   29   59 1
    64   32   60 1
    65   32   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0351
  Crash		| -0.8114
  Polar		| 4.2893
  FragIndex	| 1
  FragRMSD	| 0.334