@<TRIPOS>MOLECULE
BindingDB_50149201
 95 102 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.9804   26.3538   10.3318  C     
2    C        42.2030   26.9026   10.2477  C     
3    C        42.7590   27.1911    9.0417  C     
4    C        42.0642   26.9695    7.9084  C     
5    C        40.7561   26.4080    7.9025  C     
6    N        40.0122   26.2232    6.7406  N     
7    C        38.6885   25.8182    6.8329  C     
8    C        38.1365   25.3583    8.0624  C     
9    C        36.8443   24.7849    8.1727  C     
10   C        36.3530   24.3541    9.3513  C     
11   C        37.0808   24.4952   10.4880  C     
12   C        38.3133   25.0398   10.4554  C     
13   C        38.9133   25.4784    9.2509  C     
14   C        40.2068   26.0737    9.1804  C     
15   N        43.9591   27.6626    8.9871  N     
16   N        35.1924   23.7967    9.4113  N     
17   C        40.6320   26.4409    5.4199  C     
18   C        41.6900   25.3478    5.0690  C     
19   C        41.1030   24.0153    4.5171  C     
20   C        40.6123   24.1119    3.0393  C     
21   C        40.3877   22.7319    2.3513  C     
22   C        41.6650   21.9198    2.0097  C     
23   N        43.4821   23.5067   -0.5347  N     
24   N        44.2638   23.6223    0.4106  N     
25   N        43.8129   23.0971    1.4368  N     
26   C        42.6257   22.6234    1.1723  C     
27   C        42.4435   22.9028   -0.1143  C     
28   C        44.4795   23.1176    2.6864  C     
29   C        45.9849   23.4912    2.6998  C     
30   N        46.1739   24.9101    2.6209  N     
31   C        49.0834   24.2016    2.9942  C     
32   C        50.4981   23.8450    3.5362  C     
33   C        51.2974   25.1067    3.9068  C     
34   C        50.5107   25.9249    4.9553  C     
35   C        49.0942   26.1481    4.5897  C     
36   N        48.5143   27.2407    5.1358  N     
37   C        47.2500   27.6256    4.8682  C     
38   C        46.7397   28.7698    5.4763  C     
39   C        45.4640   29.1393    5.2438  C     
40   C        44.6511   28.3985    4.4353  C     
41   C        45.1160   27.2944    3.8107  C     
42   C        46.4445   26.8471    3.9907  C     
43   C        46.9896   25.6484    3.4251  C     
44   C        48.3574   25.3068    3.7106  C     
45   C        37.7789   26.0382    5.7466  C     
46   C        37.4104   25.0000    4.8627  C     
47   C        36.5470   25.2628    3.7797  C     
48   C        36.0151   26.5524    3.6051  C     
49   C        36.3600   27.5876    4.4891  C     
50   C        37.2542   27.3365    5.5479  C     
51   H        40.6474   26.1651   11.2414  H     
52   H        42.7069   27.0873   11.0856  H     
53   H        42.5121   27.2218    7.0589  H     
54   H        36.2786   24.6703    7.3617  H     
55   H        36.7140   24.1912   11.3613  H     
56   H        38.7838   25.1026   11.3235  H     
57   H        44.4449   27.5938    8.1896  H     
58   H        44.4099   27.8880    9.7768  H     
59   H        34.8991   23.4153   10.2150  H     
60   H        34.6657   23.7170    8.6440  H     
61   H        39.9291   26.4706    4.5897  H     
62   H        41.0926   27.4275    5.3911  H     
63   H        42.3846   25.7575    4.3304  H     
64   H        42.2837   25.0933    5.9518  H     
65   H        41.8921   23.2603    4.5849  H     
66   H        40.2824   23.6760    5.1595  H     
67   H        39.6673   24.6591    3.0274  H     
68   H        41.3315   24.6907    2.4503  H     
69   H        39.7495   22.1247    2.9987  H     
70   H        39.8289   22.9067    1.4300  H     
71   H        42.1363   21.5970    2.9376  H     
72   H        41.3632   21.0084    1.4830  H     
73   H        41.6479   22.6788   -0.6723  H     
74   H        43.9446   23.8138    3.3466  H     
75   H        44.3974   22.1193    3.1446  H     
76   H        46.3928   23.1081    3.6335  H     
77   H        46.4882   23.0053    1.8632  H     
78   H        45.3907   25.3738    2.2880  H     
79   H        49.1744   24.4886    1.9404  H     
80   H        48.5376   23.2667    3.0381  H     
81   H        50.3965   23.2117    4.4249  H     
82   H        51.0453   23.2772    2.7775  H     
83   H        52.2688   24.8264    4.3159  H     
84   H        51.4595   25.7135    3.0118  H     
85   H        50.5290   25.4028    5.9178  H     
86   H        51.0256   26.8859    5.0835  H     
87   H        47.3153   29.3260    6.0723  H     
88   H        45.1047   29.9596    5.6765  H     
89   H        43.7063   28.6811    4.2993  H     
90   H        44.4857   26.7923    3.2338  H     
91   H        37.7833   24.0546    4.9795  H     
92   H        36.3052   24.5155    3.1249  H     
93   H        35.3880   26.7435    2.8185  H     
94   H        35.9799   28.5254    4.3614  H     
95   H        37.5222   28.1009    6.1698  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   14 1
     3    2    3 1
     4    3    4 2
     5    3   15 1
     6    4    5 1
     7    5    6 2
     8    5   14 1
     9    6    7 1
    10    6   17 1
    11    7    8 2
    12    7   45 1
    13    8    9 1
    14    8   13 1
    15    9   10 2
    16   10   11 1
    17   10   16 1
    18   11   12 2
    19   12   13 1
    20   13   14 2
    21   17   18 1
    22   18   19 1
    23   19   20 1
    24   20   21 1
    25   21   22 1
    26   22   26 1
    27   23   24 2
    28   23   27 1
    29   24   25 1
    30   25   26 1
    31   25   28 1
    32   26   27 2
    33   28   29 1
    34   29   30 1
    35   30   43 1
    36   31   32 1
    37   31   44 1
    38   32   33 1
    39   33   34 1
    40   34   35 1
    41   35   36 1
    42   35   44 2
    43   36   37 2
    44   37   38 1
    45   37   42 1
    46   38   39 2
    47   39   40 1
    48   40   41 2
    49   41   42 1
    50   42   43 2
    51   43   44 1
    52   45   46 1
    53   45   50 2
    54   46   47 2
    55   47   48 1
    56   48   49 2
    57   49   50 1
    58    1   51 1
    59    2   52 1
    60    4   53 1
    61    9   54 1
    62   11   55 1
    63   12   56 1
    64   15   57 1
    65   15   58 1
    66   16   59 1
    67   16   60 1
    68   17   61 1
    69   17   62 1
    70   18   63 1
    71   18   64 1
    72   19   65 1
    73   19   66 1
    74   20   67 1
    75   20   68 1
    76   21   69 1
    77   21   70 1
    78   22   71 1
    79   22   72 1
    80   27   73 1
    81   28   74 1
    82   28   75 1
    83   29   76 1
    84   29   77 1
    85   30   78 1
    86   31   79 1
    87   31   80 1
    88   32   81 1
    89   32   82 1
    90   33   83 1
    91   33   84 1
    92   34   85 1
    93   34   86 1
    94   38   87 1
    95   39   88 1
    96   40   89 1
    97   41   90 1
    98   46   91 1
    99   47   92 1
   100   48   93 1
   101   49   94 1
   102   50   95 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5703
  Crash		| -1.9881
  Polar		| 0.7766
  FragIndex	| 1
  FragRMSD	| 0.742