@<TRIPOS>MOLECULE
BindingDB_50076289
 104 110 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        17.4620   10.7566   24.9741  N     
2    C        17.5181   11.4119   23.8213  C     
3    C        17.1686   11.6172   25.9447  C     
4    C        17.0653   12.8642   25.4173  C     
5    C        17.2839   12.7322   24.0488  C     
6    C        16.4453    2.6587   29.2352  C     
7    C        14.6292    0.5784   32.4331  C     
8    C        15.8233    1.9467   30.2466  C     
9    N        16.0172    2.5764   27.9796  N     
10   C        17.6717    9.3405   25.1481  C     
11   C        16.2797    7.2775   25.8513  C     
12   C        16.3274    8.5537   25.1365  C     
13   C        13.9184    1.5948   31.7507  C     
14   C        15.8867    0.1605   31.9322  C     
15   N        15.1512    6.5550   26.0465  N     
16   C        16.6545    3.1390   26.8173  C     
17   O        14.0421    0.0414   33.5514  O     
18   C        15.6800    4.0795   26.0374  C     
19   C        16.4978    0.8824   30.8895  C     
20   C        14.5073    2.2548   30.6534  C     
21   C        12.6073   11.3135   25.3235  C     
22   C        15.1988    5.3283   26.8498  C     
23   O        17.7524   10.9328   22.7165  O     
24   O        17.0027   11.3555   27.1295  O     
25   C        13.4342   11.9555   26.2319  C     
26   O        12.0692   12.1823   24.4417  O     
27   O        13.5090   13.2794   25.9901  O     
28   C        12.4772   13.4459   25.0000  C     
29   O        17.4482    3.2964   29.5228  O     
30   C        17.2138    1.9917   25.9110  C     
31   C        12.4185    9.9205   25.3797  C     
32   O        17.3387    6.8838   26.3343  O     
33   C        13.8596    6.9125   25.4606  C     
34   C        14.0653   11.2375   27.2592  C     
35   C        14.6382    0.2401   34.8595  C     
36   C        13.0586    9.1669   26.3947  C     
37   O        12.6003    1.8410   32.0359  O     
38   O        16.5380   -0.9201   32.4635  O     
39   O        14.5475    3.3356   25.5869  O     
40   C        12.9060    7.6853   26.4291  C     
41   C        13.8655    9.8442   27.3450  C     
42   C        18.1789    1.0876   26.6018  C     
43   C        17.2602   13.8539   23.2008  C     
44   C        16.8244   14.1265   25.9955  C     
45   C        15.3258    1.5360   35.1541  C     
46   C        15.9610   -2.1824   32.0740  C     
47   C        12.3527    2.6233   33.2146  C     
48   C        19.3332    1.6139   27.2256  C     
49   C        17.9530   -0.3128   26.6722  C     
50   C        16.6826    1.7405   34.7863  C     
51   C        14.6464    2.5831   35.8123  C     
52   C        16.8146   15.2619   25.1586  C     
53   C        17.0277   15.1255   23.7675  C     
54   C        17.3353    2.9593   35.0612  C     
55   C        20.2191    0.7761   27.9282  C     
56   C        18.8497   -1.1530   27.3582  C     
57   C        15.2970    3.8022   36.0885  C     
58   C        16.6429    3.9894   35.7155  C     
59   C        19.9814   -0.6102   27.9897  C     
60   H        15.2586    1.9945   27.8191  H     
61   H        18.3212    8.9551   24.3530  H     
62   H        18.1980    9.1596   26.0908  H     
63   H        15.5960    9.2040   25.5907  H     
64   H        16.0317    8.3797   24.0978  H     
65   H        17.5071    3.7630   27.1050  H     
66   H        16.2077    4.4177   25.1402  H     
67   H        17.4319    0.6032   30.5785  H     
68   H        13.9800    2.9888   30.1685  H     
69   H        15.8560    5.5082   27.7100  H     
70   H        14.2250    5.0999   27.2937  H     
71   H        12.8379   14.0942   24.1994  H     
72   H        11.6141   13.9282   25.4686  H     
73   H        16.3734    1.4094   25.5187  H     
74   H        17.7221    2.4335   25.0476  H     
75   H        11.8202    9.4703   24.6850  H     
76   H        13.9733    7.4706   24.5328  H     
77   H        13.3555    5.9931   25.1416  H     
78   H        14.6674   11.7222   27.9311  H     
79   H        13.8338    0.1350   35.5846  H     
80   H        15.3131   -0.6063   35.0300  H     
81   H        13.8344    3.9958   25.4093  H     
82   H        11.8654    7.4521   26.1612  H     
83   H        13.0454    7.3030   27.4483  H     
84   H        14.3482    9.3232   28.0807  H     
85   H        17.4181   13.7533   22.1956  H     
86   H        16.6731   14.2215   27.0020  H     
87   H        14.9237   -2.2697   32.4099  H     
88   H        16.5387   -2.9826   32.5447  H     
89   H        16.0044   -2.3268   30.9905  H     
90   H        12.6079    2.0581   34.1149  H     
91   H        11.2847    2.8419   33.2650  H     
92   H        12.8979    3.5700   33.2095  H     
93   H        19.5328    2.6172   27.1861  H     
94   H        17.1304   -0.7286   26.2320  H     
95   H        17.2114    0.9941   34.3156  H     
96   H        13.6795    2.4769   36.0847  H     
97   H        16.6485   16.1885   25.5591  H     
98   H        17.0131   15.9537   23.1688  H     
99   H        18.3054    3.0934   34.8013  H     
100  H        21.0367    1.1717   28.3952  H     
101  H        18.6748   -2.1628   27.4018  H     
102  H        14.7844    4.5663   36.5548  H     
103  H        17.1142    4.8761   35.9316  H     
104  H        20.6318   -1.2193   28.4912  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    1   10 1
     4    2    5 1
     5    2   23 2
     6    3    4 1
     7    3   24 2
     8    4    5 2
     9    4   44 1
    10    5   43 1
    11    6    8 1
    12    6    9 am
    13    6   29 2
    14    7   13 2
    15    7   14 1
    16    7   17 1
    17    8   19 1
    18    8   20 2
    19    9   16 1
    20   10   12 1
    21   11   12 1
    22   11   15 am
    23   11   32 2
    24   13   20 1
    25   13   37 1
    26   14   19 2
    27   14   38 1
    28   15   22 1
    29   15   33 1
    30   16   18 1
    31   16   30 1
    32   17   35 1
    33   18   22 1
    34   18   39 1
    35   21   25 2
    36   21   26 1
    37   21   31 1
    38   25   27 1
    39   25   34 1
    40   26   28 1
    41   27   28 1
    42   30   42 1
    43   31   36 2
    44   33   40 1
    45   34   41 2
    46   35   45 1
    47   36   40 1
    48   36   41 1
    49   37   47 1
    50   38   46 1
    51   42   48 2
    52   42   49 1
    53   43   53 2
    54   44   52 2
    55   45   50 1
    56   45   51 2
    57   48   55 1
    58   49   56 2
    59   50   54 2
    60   51   57 1
    61   52   53 1
    62   54   58 1
    63   55   59 2
    64   56   59 1
    65   57   58 2
    66    9   60 1
    67   10   61 1
    68   10   62 1
    69   12   63 1
    70   12   64 1
    71   16   65 1
    72   18   66 1
    73   19   67 1
    74   20   68 1
    75   22   69 1
    76   22   70 1
    77   28   71 1
    78   28   72 1
    79   30   73 1
    80   30   74 1
    81   31   75 1
    82   33   76 1
    83   33   77 1
    84   34   78 1
    85   35   79 1
    86   35   80 1
    87   39   81 1
    88   40   82 1
    89   40   83 1
    90   41   84 1
    91   43   85 1
    92   44   86 1
    93   46   87 1
    94   46   88 1
    95   46   89 1
    96   47   90 1
    97   47   91 1
    98   47   92 1
    99   48   93 1
   100   49   94 1
   101   50   95 1
   102   51   96 1
   103   52   97 1
   104   53   98 1
   105   54   99 1
   106   55  100 1
   107   56  101 1
   108   57  102 1
   109   58  103 1
   110   59  104 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 11.2666
  Crash		| -1.4227
  Polar		| 6.6769
  FragIndex	| 1
  FragRMSD	| 0.435