134159760
  -OEChem-06292407182D

129132  0     1  0  0  0  0  0999 V2000
    5.1350  -12.6550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    7.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -7.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    6.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    8.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -8.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -6.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   10.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -8.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    9.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   12.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   10.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    6.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -5.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -8.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    8.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010  -11.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9292    0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0632    3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9292    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -7.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    7.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    9.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    9.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2873    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2873    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -7.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -8.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   10.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1934    0.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    9.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1934    1.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -9.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   11.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690  -10.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010  -10.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690  -11.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350  -11.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    4.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    5.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    5.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    4.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866    3.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9851    3.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6738    3.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2753    3.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -0.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -7.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097   -5.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112   -5.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -6.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885   -6.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871   -7.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -7.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -7.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    9.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -8.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871   -2.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885   -2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    8.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    9.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    9.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2801   -0.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2801    2.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531   11.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546   10.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    8.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7291    0.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7291    2.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -8.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -9.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -9.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   11.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320  -11.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   12.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 74  1  0  0  0  0
  2 34  2  0  0  0  0
  3 40  1  0  0  0  0
  3120  1  0  0  0  0
  4 39  2  0  0  0  0
  5 40  2  0  0  0  0
  6 41  2  0  0  0  0
  7 46  2  0  0  0  0
  8 47  2  0  0  0  0
  9 62  1  0  0  0  0
  9123  1  0  0  0  0
 10 65  1  0  0  0  0
 10126  1  0  0  0  0
 11 62  2  0  0  0  0
 12 67  1  0  0  0  0
 12127  1  0  0  0  0
 13 63  2  0  0  0  0
 14 65  2  0  0  0  0
 15 67  2  0  0  0  0
 16 70  1  0  0  0  0
 16129  1  0  0  0  0
 17 70  2  0  0  0  0
 18 31  1  0  0  0  0
 18 34  1  0  0  0  0
 18 88  1  0  0  0  0
 29 19  1  6  0  0  0
 19 47  1  0  0  0  0
 19 92  1  0  0  0  0
 30 20  1  6  0  0  0
 20 46  1  0  0  0  0
 20 93  1  0  0  0  0
 33 21  1  6  0  0  0
 21 39  1  0  0  0  0
 21 96  1  0  0  0  0
 36 22  1  1  0  0  0
 22 63  1  0  0  0  0
 22104  1  0  0  0  0
 23 41  1  0  0  0  0
 23 51  1  0  0  0  0
 23107  1  0  0  0  0
 24 47  1  0  0  0  0
 50 24  1  6  0  0  0
 24109  1  0  0  0  0
 25 72  1  0  0  0  0
 25 74  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
 27 29  1  0  0  0  0
 27 77  1  0  0  0  0
 27 78  1  0  0  0  0
 28 31  1  0  0  0  0
 28 79  1  0  0  0  0
 28 80  1  0  0  0  0
 29 40  1  0  0  0  0
 29 81  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 82  1  0  0  0  0
 31 83  1  0  0  0  0
 31 84  1  0  0  0  0
 32 35  1  0  0  0  0
 32 85  1  0  0  0  0
 32 86  1  0  0  0  0
 33 37  1  0  0  0  0
 33 41  1  0  0  0  0
 33 87  1  0  0  0  0
 35 42  2  0  0  0  0
 35 44  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 36 89  1  0  0  0  0
 37 43  1  0  0  0  0
 37 90  1  0  0  0  0
 37 91  1  0  0  0  0
 38 48  1  0  0  0  0
 38 94  1  0  0  0  0
 38 95  1  0  0  0  0
 42 45  1  0  0  0  0
 42 97  1  0  0  0  0
 43 62  1  0  0  0  0
 43 98  1  0  0  0  0
 43 99  1  0  0  0  0
 44 52  2  0  0  0  0
 44100  1  0  0  0  0
 45 49  1  0  0  0  0
 45 56  2  0  0  0  0
 46 53  1  0  0  0  0
 48 65  1  0  0  0  0
 48101  1  0  0  0  0
 48102  1  0  0  0  0
 49 52  1  0  0  0  0
 49 61  2  0  0  0  0
 50 55  1  0  0  0  0
 50 67  1  0  0  0  0
 50103  1  0  0  0  0
 51 54  1  0  0  0  0
 51105  1  0  0  0  0
 51106  1  0  0  0  0
 52108  1  0  0  0  0
 53 57  2  0  0  0  0
 53 58  1  0  0  0  0
 54 59  2  0  0  0  0
 54 60  1  0  0  0  0
 55 64  1  0  0  0  0
 55110  1  0  0  0  0
 55111  1  0  0  0  0
 56 66  1  0  0  0  0
 56112  1  0  0  0  0
 57 59  1  0  0  0  0
 57113  1  0  0  0  0
 58 60  2  0  0  0  0
 58114  1  0  0  0  0
 59115  1  0  0  0  0
 60116  1  0  0  0  0
 61 68  1  0  0  0  0
 61117  1  0  0  0  0
 63 69  1  0  0  0  0
 64 70  1  0  0  0  0
 64118  1  0  0  0  0
 64119  1  0  0  0  0
 66 68  2  0  0  0  0
 66121  1  0  0  0  0
 68122  1  0  0  0  0
 69 71  1  0  0  0  0
 69 72  2  0  0  0  0
 71 73  2  0  0  0  0
 71124  1  0  0  0  0
 72125  1  0  0  0  0
 73 74  1  0  0  0  0
 73128  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
134159760

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1970

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
18

> <PUBCHEM_CACTVS_HBOND_DONOR>
12

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
30

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//wAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADB1AAAHwAQCAAADCjBmgw9iNLIEgCoAjH3XACCgCA1AiAI2KG4ZNiKYPrA1bGUYYhslgLYyce8/8KOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[(6-fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-(2-naphthyl)propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S)-2-[[[[(1S)-1-carboxy-5-[[(2S)-2-[[[4-[[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(6-fluoro-3-pyridinyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]methyl]phenyl]-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]pentyl]amino]-oxomethyl]amino]pentanedioic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>)-2-[[(1<I>S</I>)-1-carboxy-5-[[(2<I>S</I>)-2-[[4-[[[(2<I>S</I>)-4-carboxy-2-[[(2<I>S</I>)-4-carboxy-2-[(6-fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

> <PUBCHEM_IUPAC_NAME>
(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[(6-fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S)-2-[[(2S)-6-[[(2S)-2-[[4-[[[(2S)-2-[[(2S)-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[(6-fluoronicotinoyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-(2-naphthyl)propanoyl]amino]pentyl]carbamoylamino]glutaric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C49H55FN8O16/c50-38-18-14-32(26-52-38)43(66)54-34(16-20-40(61)62)46(69)55-33(15-19-39(59)60)44(67)53-25-27-8-12-30(13-9-27)42(65)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(68)51-22-4-3-7-35(47(70)71)57-49(74)58-36(48(72)73)17-21-41(63)64/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,57,58,74)/t33-,34-,35-,36-,37-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RFFFFGRYVZESLB-LTLCPEALSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
1030.37200586

> <PUBCHEM_MOLECULAR_FORMULA>
C49H55FN8O16

> <PUBCHEM_MOLECULAR_WEIGHT>
1031.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3=CC=C(C=C3)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C4=CN=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C3=CC=C(C=C3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C4=CN=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
386

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1030.37200586

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
74

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
29  19  6
30  20  6
33  21  6
36  22  5
50  24  6
25  72  8
25  74  8
35  42  8
35  44  8
42  45  8
44  52  8
45  49  8
45  56  8
49  52  8
49  61  8
53  57  8
53  58  8
54  59  8
54  60  8
56  66  8
57  59  8
58  60  8
61  68  8
66  68  8
69  71  8
69  72  8
71  73  8
73  74  8

$$$$
