@<TRIPOS>MOLECULE
BindingDB_50295811
 54 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       112.7778   18.2629   61.4820  C     
2    C       115.1234   17.5280   62.8751  C     
3    N       113.0222   20.4936   61.8256  N     
4    C       113.5649   21.8420   61.9336  C     
5    C       115.0868   22.1226   62.1827  C     
6    C       113.5412   19.2632   62.1252  C     
7    C       114.6644   18.8600   62.9015  C     
8    N       115.3856   19.5435   63.8238  N     
9    C       114.9620   20.7675   64.4390  C     
10   C       115.4809   22.0193   63.6944  C     
11   C       114.3753   16.5501   62.1821  C     
12   C       113.1988   16.9078   61.5041  C     
13   C       112.7186   15.7373   60.9701  C     
14   C       114.5058   15.1951   62.0397  C     
15   O       111.7229   15.5428   60.2899  O     
16   O       115.3225   14.4381   62.5312  O     
17   C       111.6843   18.9112   60.8965  C     
18   C       111.8554   20.2779   61.1379  C     
19   C       110.8955   21.2079   60.6679  C     
20   C       109.7743   20.7529   59.9500  C     
21   C       109.6042   19.3769   59.7121  C     
22   C       110.5516   18.4538   60.1907  C     
23   C       116.3753   18.7306   64.2929  C     
24   C       116.2559   17.4697   63.6943  C     
25   C       117.1940   16.4572   63.9912  C     
26   C       118.2223   16.7067   64.9240  C     
27   C       118.3198   17.9656   65.5461  C     
28   C       117.4062   18.9870   65.2228  C     
29   N       113.5144   14.7555   61.3049  N     
30   O       116.9038   22.0708   63.8521  O     
31   C       115.4143   23.4895   61.6655  C     
32   O       115.8363   21.1734   61.4116  O     
33   O       114.9612   24.5838   62.3357  O     
34   O       116.0329   23.6594   60.4680  O     
35   C       116.3076   24.9130   59.8314  C     
36   H       113.3430   22.3242   60.9733  H     
37   H       112.9812   22.3785   62.6876  H     
38   H       113.8705   20.7927   64.5088  H     
39   H       115.3059   20.8147   65.4727  H     
40   H       115.0681   22.8729   64.2393  H     
41   H       110.9996   22.2092   60.8396  H     
42   H       109.0803   21.4223   59.6070  H     
43   H       108.7840   19.0490   59.1957  H     
44   H       110.3841   17.4692   60.0251  H     
45   H       117.1680   15.5520   63.5363  H     
46   H       118.9018   15.9748   65.1446  H     
47   H       119.0630   18.1414   66.2250  H     
48   H       117.4943   19.8999   65.6685  H     
49   H       113.3800   13.8237   61.0658  H     
50   H       117.1549   23.0023   63.6675  H     
51   H       116.7800   21.3193   61.6452  H     
52   H       115.3843   25.4750   59.6809  H     
53   H       116.7691   24.7262   58.8617  H     
54   H       116.9948   25.5019   60.4453  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   12 2
     3    1   17 1
     4    2    7 1
     5    2   11 2
     6    2   24 1
     7    3    4 1
     8    3    6 1
     9    3   18 1
    10    4    5 1
    11    5   10 1
    12    5   31 1
    13    5   32 1
    14    6    7 2
    15    7    8 1
    16    8    9 1
    17    8   23 1
    18    9   10 1
    19   10   30 1
    20   11   12 1
    21   11   14 1
    22   12   13 1
    23   13   15 2
    24   13   29 1
    25   14   16 2
    26   14   29 1
    27   17   18 2
    28   17   22 1
    29   18   19 1
    30   19   20 2
    31   20   21 1
    32   21   22 2
    33   23   24 2
    34   23   28 1
    35   24   25 1
    36   25   26 2
    37   26   27 1
    38   27   28 2
    39   31   33 2
    40   31   34 1
    41   34   35 1
    42    4   36 1
    43    4   37 1
    44    9   38 1
    45    9   39 1
    46   10   40 1
    47   19   41 1
    48   20   42 1
    49   21   43 1
    50   22   44 1
    51   25   45 1
    52   26   46 1
    53   27   47 1
    54   28   48 1
    55   29   49 1
    56   30   50 1
    57   32   51 1
    58   35   52 1
    59   35   53 1
    60   35   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8601
  Crash		| -0.6602
  Polar		| 2.1228
  FragIndex	| 1
  FragRMSD	| 0.283