@<TRIPOS>MOLECULE
BindingDB_50076288
 101 105 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.4138    2.8330   29.3538  C     
2    C        14.6367    0.6059   32.4769  C     
3    C        16.5029    7.2248   25.8092  C     
4    N        15.2973    6.6482   26.0608  N     
5    C        15.8194    2.1133   30.3724  C     
6    N        15.9558    2.7466   28.1101  N     
7    C        13.8903    1.6041   31.8061  C     
8    C        15.9486    0.3090   32.0340  C     
9    C        16.6125    3.2188   26.9178  C     
10   O        14.0197   -0.1280   33.4669  O     
11   C        15.2065    5.4464   26.8900  C     
12   C        15.6428    4.1517   26.1206  C     
13   C        16.5537    1.1029   31.0405  C     
14   C        14.4708    2.3207   30.7384  C     
15   O        17.4940    6.7316   26.3460  O     
16   O        17.4645    3.4140   29.5987  O     
17   N        18.8789    9.6684   23.1908  N     
18   C        17.0853    1.9958   26.0673  C     
19   C        14.0539    7.0980   25.4415  C     
20   C        16.8299    8.2891   24.8413  C     
21   C        14.6719   -0.2006   34.7580  C     
22   O        16.6517   -0.7310   32.5880  O     
23   O        12.5705    1.7981   32.1256  O     
24   O        14.5004    3.3855   25.7328  O     
25   C        13.3952    9.2131   26.7398  C     
26   C        13.0909    7.7821   26.4549  C     
27   C        13.7737   12.0031   27.2103  C     
28   C        18.0427    1.0767   26.7455  C     
29   C        13.3347    9.7382   28.0509  C     
30   C        13.6694   10.0969   25.6723  C     
31   C        13.5224   11.1184   28.2775  C     
32   C        13.8697   11.4765   25.9052  C     
33   C        13.8890    0.5111   35.7976  C     
34   O        13.9502   13.3259   27.5345  O     
35   C        18.2501   10.3963   24.3159  C     
36   C        17.9713    8.6946   22.5463  C     
37   C        17.7700    9.4090   25.4114  C     
38   C        17.4756    7.6437   23.5706  C     
39   C        12.3563    2.6492   33.2654  C     
40   C        16.1697   -2.0258   32.1802  C     
41   C        17.7923   -0.3169   26.8340  C     
42   C        19.2449    1.5771   27.2993  C     
43   C        14.3777    1.6939   36.4001  C     
44   C        12.6461   -0.0078   36.2299  C     
45   C        13.6354   14.3035   26.5248  C     
46   C        20.1625    0.7183   27.9368  C     
47   C        18.7214   -1.1839   27.4467  C     
48   C        11.9023    0.6427   37.2329  C     
49   C        13.6391    2.3445   37.4077  C     
50   C        19.9065   -0.6645   28.0005  C     
51   C        12.4007    1.8202   37.8236  C     
52   H        15.1529    2.2186   27.9790  H     
53   H        17.5007    3.8118   27.1602  H     
54   H        15.8083    5.5759   27.7957  H     
55   H        14.1848    5.3128   27.2645  H     
56   H        16.1509    4.4491   25.1965  H     
57   H        17.5220    0.9035   30.7698  H     
58   H        13.9079    3.0225   30.2488  H     
59   H        19.1832   10.3469   22.4899  H     
60   H        19.7081    9.1708   23.5398  H     
61   H        16.2069    1.4356   25.7392  H     
62   H        17.5773    2.3678   25.1675  H     
63   H        14.2268    7.7321   24.5639  H     
64   H        13.5282    6.2325   25.0311  H     
65   H        15.9119    8.8011   24.5408  H     
66   H        14.7237   -1.2566   35.0390  H     
67   H        15.7060    0.1615   34.7336  H     
68   H        13.8121    4.0245   25.4632  H     
69   H        12.0683    7.7406   26.0686  H     
70   H        13.0809    7.2012   27.3839  H     
71   H        13.1383    9.1268   28.8475  H     
72   H        13.7034    9.7516   24.7169  H     
73   H        13.4675   11.4744   29.2366  H     
74   H        14.0800   12.1059   25.1293  H     
75   H        18.9887   11.0789   24.7388  H     
76   H        17.4104   10.9956   23.9492  H     
77   H        17.1214    9.2186   22.0971  H     
78   H        18.5187    8.1916   21.7469  H     
79   H        17.2401    9.9667   26.1874  H     
80   H        18.6605    8.9639   25.8674  H     
81   H        18.3383    7.0336   23.8609  H     
82   H        16.7495    6.9858   23.0823  H     
83   H        12.8214    2.2382   34.1635  H     
84   H        11.2828    2.7210   33.4410  H     
85   H        12.7389    3.6564   33.0849  H     
86   H        15.1205   -2.1766   32.4557  H     
87   H        16.7629   -2.7837   32.6940  H     
88   H        16.2855   -2.1746   31.1019  H     
89   H        16.9376   -0.7200   26.4485  H     
90   H        19.4677    2.5707   27.2419  H     
91   H        15.2779    2.0875   36.1212  H     
92   H        12.2802   -0.8732   35.8290  H     
93   H        14.3659   14.2566   25.7125  H     
94   H        13.6740   15.3036   26.9740  H     
95   H        12.6301   14.1551   26.1135  H     
96   H        21.0145    1.0989   28.3528  H     
97   H        18.5332   -2.1892   27.5007  H     
98   H        11.0058    0.2564   37.5360  H     
99   H        14.0035    3.1933   37.8409  H     
100  H        20.5830   -1.2904   28.4479  H     
101  H        11.8598    2.2968   38.5476  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 am
     3    1   16 2
     4    2    7 2
     5    2    8 1
     6    2   10 1
     7    3    4 am
     8    3   15 2
     9    3   20 1
    10    4   11 1
    11    4   19 1
    12    5   13 1
    13    5   14 2
    14    6    9 1
    15    7   14 1
    16    7   23 1
    17    8   13 2
    18    8   22 1
    19    9   12 1
    20    9   18 1
    21   10   21 1
    22   11   12 1
    23   12   24 1
    24   17   35 1
    25   17   36 1
    26   18   28 1
    27   19   26 1
    28   20   37 1
    29   20   38 1
    30   21   33 1
    31   22   40 1
    32   23   39 1
    33   25   26 1
    34   25   29 1
    35   25   30 2
    36   27   31 1
    37   27   32 2
    38   27   34 1
    39   28   41 1
    40   28   42 2
    41   29   31 2
    42   30   32 1
    43   33   43 2
    44   33   44 1
    45   34   45 1
    46   35   37 1
    47   36   38 1
    48   41   47 2
    49   42   46 1
    50   43   49 1
    51   44   48 2
    52   46   50 2
    53   47   50 1
    54   48   51 1
    55   49   51 2
    56    6   52 1
    57    9   53 1
    58   11   54 1
    59   11   55 1
    60   12   56 1
    61   13   57 1
    62   14   58 1
    63   17   59 1
    64   17   60 1
    65   18   61 1
    66   18   62 1
    67   19   63 1
    68   19   64 1
    69   20   65 1
    70   21   66 1
    71   21   67 1
    72   24   68 1
    73   26   69 1
    74   26   70 1
    75   29   71 1
    76   30   72 1
    77   31   73 1
    78   32   74 1
    79   35   75 1
    80   35   76 1
    81   36   77 1
    82   36   78 1
    83   37   79 1
    84   37   80 1
    85   38   81 1
    86   38   82 1
    87   39   83 1
    88   39   84 1
    89   39   85 1
    90   40   86 1
    91   40   87 1
    92   40   88 1
    93   41   89 1
    94   42   90 1
    95   43   91 1
    96   44   92 1
    97   45   93 1
    98   45   94 1
    99   45   95 1
   100   46   96 1
   101   47   97 1
   102   48   98 1
   103   49   99 1
   104   50  100 1
   105   51  101 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 13.5208
  Crash		| -1.7341
  Polar		| 7.7566
  FragIndex	| 1
  FragRMSD	| 0.529