TJL0145
 OpenBabel09292510182D

 93  4  0  0  0  0  0  0  0  0999 V2000
  667.5300   63.6000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  653.3500   64.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1020.0900   70.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1071.6100   70.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  870.3600   71.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  894.2100   71.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  941.6800   71.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  965.5300   71.1400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1059.2400   77.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  649.6400   77.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  695.8700   77.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  744.1400   77.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  767.6500   77.8900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  815.8000   77.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1006.5900   78.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  857.9800   78.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  906.1300   78.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  929.3000   78.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  977.7900   78.2300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1411.6900   82.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1299.3100   82.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1323.9400   83.0700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1371.0800   82.7300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  683.9500   84.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  803.0800   84.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  660.7800   85.3200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  707.9100   84.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  731.4200   84.5300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  779.5700   84.9800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  829.6300   85.6500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1383.6800   89.3700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1311.6800   89.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1335.5300   89.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1359.0400   89.8200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1006.2500   92.4000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1417.3100   96.1200    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1430.8100   99.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1276.5800  101.4000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1359.0400  103.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1383.3400  104.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1371.4200  111.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1018.9600  113.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1393.8000  112.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1432.2800  112.9900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1284.7900  113.3300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1419.2300  118.5000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1443.5300  118.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1264.2100  120.0800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1215.7200  122.6600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1251.9400  128.6300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1227.9800  129.4100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1203.3500  130.0900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1006.9300  134.5900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1280.6300  138.7500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  994.6600  141.6800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1203.8000  143.9300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1228.4300  144.2600    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1179.5000  145.0500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1192.2100  151.0100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1216.4000  151.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1156.3200  154.3900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1125.3900  155.5100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  994.6600  156.3000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1170.1600  156.6400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1112.2200  158.1000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1190.6300  165.6400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1060.0300  169.3500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1036.0600  169.6900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1107.0500  172.2800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1024.1400  176.4400    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1072.2900  176.7800    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1130.9000  180.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1152.6100  179.8100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1171.2800  181.6100    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1116.7200  183.1900    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1141.3600  188.0300    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1024.4800  190.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
  674.2700   51.0000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1017.8400   56.4000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  869.7900   56.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  940.6700   56.5200    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  640.8600   61.4700    0.0000 S   0  0  0  0  0 15  0  0  0  0  0  0
 1048.2100   65.5200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  845.8300   66.3000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  916.8200   66.3000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  993.7600   66.4200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1298.6300   67.5400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  718.9400   72.9400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1422.7100   70.9200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 1412.4200   60.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1433.0100   80.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 1432.7100   60.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 1412.7200   81.2100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 89 90  2  0  0  0  0
 89 91  2  0  0  0  0
 89 92  1  0  0  0  0
 93 89  1  0  0  0  0
M  CHG  1  92  -1
M  END
>  <Formula>
C78N5O8S2-

$$$$
TJL0145
 OpenBabel09292510183D

 41  3  0  0  0  0  0  0  0  0999 V2000
 1412.7200   81.2100    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
 1393.4700   76.3200    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  671.4600   77.3300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  790.8200   77.1000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  880.9300   81.0400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1082.0700   76.7700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  952.8200   81.6000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1346.5500   82.5000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  754.9300   84.5300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1276.0200   87.7900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
  905.2300   91.8400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  976.8900   91.8400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  707.4600   98.5900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1017.6100   98.7000    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  659.5400   98.9300    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  828.6200   99.4900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1262.5200  105.3400    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1409.1000  107.4800    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1339.6900  110.7400    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
 1239.0100  118.3900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1002.0900  119.8500    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1029.7600  120.1900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1275.6800  124.1300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1389.8700  126.3800    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1150.0200  140.5500    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1252.5100  142.2400    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1035.7300  154.3900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
  982.1800  163.3900    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1147.7700  165.9800    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
 1176.6800  168.0000    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1007.9400  169.1300    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1093.7700  178.4600    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1046.7500  179.5900    0.0000 N   0  0  0  0  0 15  0  0  0  0  0  0
 1071.1600  190.6100    0.0000 O   0  0  0  0  0 15  0  0  0  0  0  0
 1331.1400  103.3200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  600.4600   61.4700    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1094.5500   69.5700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
 1012.0100  198.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1036.9500  198.1500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1060.0300  154.9500    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0
 1132.5900  167.9800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  6 37  1  0  0  0  0
 19 35  1  0  0  0  0
 41 29  1  0  0  0  0
M  END
>  <Formula>
C7N15O18

$$$$
