TJL0148
 OpenBabel09292510182D

 33  4  0  0  0  0  0  0  0  0999 V2000
  998.3300  116.2100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1006.3700  123.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  626.3500  131.9600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  613.1700  132.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  833.0500  139.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  857.5100  139.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  930.3200  139.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  984.8100  139.2200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  906.2000  139.5500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  608.3700  145.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  655.6100  146.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  704.6300  146.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  728.7500  146.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  777.7700  146.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  820.5400  146.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  869.5700  146.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  893.6900  146.9200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  972.3100  146.9200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  942.7100  146.9200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  643.5500  153.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  667.6700  153.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  691.7900  153.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  740.8100  153.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  764.9300  153.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  619.4200  153.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  791.2900  154.1800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  972.3100  160.7700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  984.8100  181.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 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
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 33 29  1  0  0  0  0
M  CHG  1  32  -1
M  END
>  <Formula>
C29O3S-

$$$$
TJL0148
 OpenBabel09292510183D

105 88  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
 1020.3200  115.7700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  633.0500  119.6800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  980.0100  125.3700    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  832.2700  125.1500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  905.0800  125.1500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  808.1500  134.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  880.9600  134.9800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  959.0200  135.2000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  678.8300  141.5600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  630.5900  146.0300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  752.3100  146.0300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  844.1100  150.1600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  917.1400  150.0500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  995.9800  146.9200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  597.6500  149.8300    0.0000 S   0  0  0  0  0  1  0  0  0  0  0  0
  715.5700  153.2900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  868.9000  160.6600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  941.8200  160.6600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  666.8800  167.2500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  983.9200  167.3600    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  618.8700  167.8100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  791.0600  168.7000    0.0000 O   0  0  0  0  0 15  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
  996.0900  188.2400    0.0000 O   0  0  0  0  0 15  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
  562.7500  149.8300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1032.8000  122.9700    0.0000 C   0  0  0  0  0  1  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 80  1  0  0  0  0
  3  9  1  0  0  0  0
  3 81  2  0  0  0  0
  3 86  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 82  1  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
  8 83  1  0  0  0  0
 10 85  1  0  0  0  0
 11 18  2  0  0  0  0
 11 85  1  0  0  0  0
 12 19  1  0  0  0  0
 12 82  1  0  0  0  0
 13 15  1  6  0  0  0
 13 89  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 86  1  0  0  0  0
 17 87  1  0  0  0  0
 18 22  1  0  0  0  0
 18 90  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 93  2  0  0  0  0
 21 94  1  0  0  0  0
 23 89  1  0  0  0  0
 23 97  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 25 95  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 89  1  0  0  0  0
 30 38  1  0  0  0  0
 30 87  2  0  0  0  0
 30 95  1  0  0  0  0
 31 88  2  0  0  0  0
 31 96  1  0  0  0  0
 32 37  1  0  0  0  0
 32 96  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 91  1  0  0  0  0
 36 31  1  1  0  0  0
 36 94  1  0  0  0  0
 36 45  1  0  0  0  0
 37 91  1  0  0  0  0
 37 99  2  0  0  0  0
 38 92  1  0  0  0  0
 38100  1  1  0  0  0
 39 98  1  0  0  0  0
 40 47  1  0  0  0  0
 40 92  1  0  0  0  0
 41 46  2  0  0  0  0
 42 49  1  0  0  0  0
 42 98  1  0  0  0  0
 43 95  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 98  1  0  0  0  0
 54101  2  0  0  0  0
 55102  1  0  0  0  0
 56102  1  0  0  0  0
 57102  1  0  0  0  0
 58104  1  0  0  0  0
 72103  1  0  0  0  0
 90105  1  0  0  0  0
M  END
>  <Formula>
C59N21O23S

$$$$
