@<TRIPOS>MOLECULE
BindingDB_15312
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.0698    0.9929   10.7152  C     
2    C        60.0299    1.1373   11.6581  C     
3    C        58.8497    0.3776   11.5608  C     
4    C        58.6460   -0.5636   10.5181  C     
5    C        59.7513   -0.7821    9.6480  C     
6    C        60.9347   -0.0250    9.7495  C     
7    C        57.4079   -1.2284   10.3257  C     
8    C        56.2193   -1.0722   11.2027  C     
9    C        54.8828   -1.3106   10.4178  C     
10   C        55.0207   -2.3913    9.4606  C     
11   N        57.2720   -2.0371    9.3225  N     
12   N        56.2128   -2.6592    8.9535  N     
13   C        56.3314   -2.0213   12.4348  C     
14   O        54.0349   -2.9476    9.0033  O     
15   N        62.2008    1.7487   10.6395  N     
16   C        62.5557    2.9407   11.1698  C     
17   C        63.3226    5.5652   12.0301  C     
18   C        64.2260    4.6269   11.3826  C     
19   C        63.8733    3.3023   11.1853  C     
20   C        61.4925    3.9103   11.5118  C     
21   C        61.9180    5.3975   11.4079  C     
22   C        64.9662    2.2995   11.1243  C     
23   C        65.0892    1.5367    9.8489  C     
24   C        65.3187   -0.6058    8.6778  C     
25   C        65.2032    0.0350    7.4242  C     
26   C        65.0247    1.4331    7.3992  C     
27   C        64.9739    2.1748    8.5937  C     
28   C        65.2816    0.1383    9.8690  C     
29   O        65.2202    5.0957   10.8372  O     
30   O        65.1963   -0.6116    6.2108  O     
31   C        65.5936   -1.9925    6.1591  C     
32   H        60.1151    1.7904   12.4348  H     
33   H        58.1357    0.5505   12.2696  H     
34   H        59.6942   -1.4724    8.8930  H     
35   H        61.6833   -0.1820    9.0665  H     
36   H        56.1482   -0.0452   11.5693  H     
37   H        54.0596   -1.5107   11.1074  H     
38   H        54.6282   -0.4073    9.8547  H     
39   H        56.2870   -3.3254    8.2486  H     
40   H        56.3219   -3.0654   12.1176  H     
41   H        55.4924   -1.8605   13.1156  H     
42   H        57.2527   -1.8364   12.9884  H     
43   H        62.8414    1.3985   10.0047  H     
44   H        63.2813    5.3386   13.1002  H     
45   H        63.6573    6.6014   11.9171  H     
46   H        60.6192    3.7760   10.8654  H     
47   H        61.1860    3.7293   12.5465  H     
48   H        61.1974    6.0295   11.9336  H     
49   H        61.9381    5.6983   10.3544  H     
50   H        65.9463    2.7497   11.2965  H     
51   H        64.8145    1.6198   11.9679  H     
52   H        65.4265   -1.6208    8.7382  H     
53   H        64.9282    1.9217    6.5075  H     
54   H        64.8339    3.1853    8.5395  H     
55   H        65.3685   -0.3523   10.7608  H     
56   H        66.5475   -2.1579    6.6661  H     
57   H        65.7069   -2.2840    5.1166  H     
58   H        64.8221   -2.6251    6.6013  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    8 1
    10    7   11 2
    11    8    9 1
    12    8   13 1
    13    9   10 1
    14   10   12 1
    15   10   14 2
    16   11   12 1
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   29 2
    24   19   22 1
    25   20   21 1
    26   22   23 1
    27   23   27 2
    28   23   28 1
    29   24   25 1
    30   24   28 2
    31   25   26 2
    32   25   30 1
    33   26   27 1
    34   30   31 1
    35    2   32 1
    36    3   33 1
    37    5   34 1
    38    6   35 1
    39    8   36 1
    40    9   37 1
    41    9   38 1
    42   12   39 1
    43   13   40 1
    44   13   41 1
    45   13   42 1
    46   15   43 1
    47   17   44 1
    48   17   45 1
    49   20   46 1
    50   20   47 1
    51   21   48 1
    52   21   49 1
    53   22   50 1
    54   22   51 1
    55   24   52 1
    56   26   53 1
    57   27   54 1
    58   28   55 1
    59   31   56 1
    60   31   57 1
    61   31   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8086
  Crash		| -1.1802
  Polar		| 2.3967
  FragIndex	| 1
  FragRMSD	| 0.618