TJLPAY0038
 OpenBabel09292510482D

  5  4  0  0  0  0  0  0  0  0999 V2000
 1380.9100  184.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 1369.8200  175.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1392.0000  193.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1390.0200  173.4700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 1371.8100  195.6500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  1  1  0  0  0  0
M  CHG  1   4  -1
M  END
>  <Formula>
CO3S-

$$$$
TJLPAY0038
 OpenBabel09292510483D

 80 86  0  0  1  0  0  0  0  0999 V2000
 1371.8100  195.6500    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
 1053.9400  192.2600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1257.6300  195.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1282.5300  195.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1331.2200  195.6100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1372.2000  195.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1041.5400  199.1900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  972.7500  202.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1270.1300  202.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1294.2500  202.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1319.1600  202.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1343.2800  202.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1378.3400  208.6800    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  960.2500  210.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1391.9700  212.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1041.8800  213.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1234.6200  214.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1318.7100  216.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1343.6100  217.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1029.0400  220.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  959.9100  223.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1331.2200  224.4200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1353.8900  225.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1392.9700  225.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1243.0000  226.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1078.3900  231.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1104.0800  231.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1380.2400  231.7900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1405.4800  232.1300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
 1221.4500  232.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1005.7000  233.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1029.8200  233.9200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
 1172.7600  235.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1091.2400  237.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1066.7800  239.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  993.1900  240.9500    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
 1041.8800  241.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1209.3800  241.2900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
 1113.5700  242.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1185.2600  242.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1160.0300  243.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1092.3500  251.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1238.9800  251.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1067.7900  254.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  993.1900  255.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1160.3600  257.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1185.2600  257.0300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1135.4600  258.1500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1080.9600  259.9400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  980.7900  262.5000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1005.7000  262.5000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1148.3000  263.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1173.2000  263.9600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1111.6700  267.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1126.3000  268.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 1147.1800  277.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1127.0800  294.0000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1058.8500  178.4200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
 1257.2900  180.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1354.2200  189.0200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  967.3900  188.0200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
 1306.0900  195.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1234.2900  200.0800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
 1220.5500  218.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1005.2500  219.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1370.1900  220.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1299.7300  223.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1053.0400  229.7800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
 1195.9800  231.2400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  947.0700  230.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  983.7000  233.5800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
 1233.7300  236.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1016.6400  244.1900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
 1350.9800  239.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1105.6400  253.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1041.3200  254.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1210.6100  255.1300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
 1103.3000  278.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1132.2200  280.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 1285.8200  220.0300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 58  1  0  0  0  0
  3  9  1  0  0  0  0
  3 59  2  0  0  0  0
  3 63  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 60  1  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  8 61  1  0  0  0  0
 10 62  1  0  0  0  0
 11 18  2  0  0  0  0
 11 62  1  0  0  0  0
 12 19  1  0  0  0  0
 12 60  1  0  0  0  0
 13 15  1  6  0  0  0
 13 66  1  0  0  0  0
 13  6  1  0  0  0  0
 14 21  1  0  0  0  0
 15 24  1  0  0  0  0
 16 20  1  0  0  0  0
 17 25  2  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 22  1  0  0  0  0
 18 67  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 70  2  0  0  0  0
 21 71  1  0  0  0  0
 23 66  1  0  0  0  0
 23 74  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 25 72  1  0  0  0  0
 26 34  1  0  0  0  0
 26 35  2  0  0  0  0
 27 34  1  0  0  0  0
 27 39  2  0  0  0  0
 28 66  1  0  0  0  0
 30 38  1  0  0  0  0
 30 64  2  0  0  0  0
 30 72  1  0  0  0  0
 31 65  2  0  0  0  0
 31 73  1  0  0  0  0
 32 37  1  0  0  0  0
 32 73  1  0  0  0  0
 32 20  1  6  0  0  0
 33 40  2  0  0  0  0
 33 41  1  0  0  0  0
 34 42  2  0  0  0  0
 35 44  1  0  0  0  0
 35 68  1  0  0  0  0
 36 31  1  1  0  0  0
 36 71  1  0  0  0  0
 36 45  1  0  0  0  0
 37 68  1  0  0  0  0
 37 76  2  0  0  0  0
 38 69  1  0  0  0  0
 38 77  1  1  0  0  0
 39 75  1  0  0  0  0
 40 47  1  0  0  0  0
 40 69  1  0  0  0  0
 41 46  2  0  0  0  0
 42 49  1  0  0  0  0
 42 75  1  0  0  0  0
 43 72  1  0  0  0  0
 44 49  2  0  0  0  0
 45 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 47 53  2  0  0  0  0
 48 52  1  0  0  0  0
 48 55  2  0  0  0  0
 52 56  2  0  0  0  0
 54 55  1  0  0  0  0
 54 75  1  0  0  0  0
 54 78  2  0  0  0  0
 55 79  1  0  0  0  0
 56 79  1  0  0  0  0
 57 79  1  0  0  0  0
 67 80  1  0  0  0  0
M  END
>  <Formula>
C57N13O9

$$$$
