TJL0116
 OpenBabel09292510182D

 97105  0  0  1  0  0  0  0  0999 V2000
  852.3200  185.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  927.3300  185.4900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  877.2100  185.8200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  964.8900  186.8100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  864.7600  192.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  889.9900  192.7600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  914.1100  192.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  939.7800  192.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  971.5000  199.2600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  985.2700  201.0200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  832.6000  204.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  914.5500  206.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  939.7800  206.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  359.7200  209.9500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  373.9300  212.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  927.3300  213.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  951.1200  215.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  988.1300  215.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  838.5500  217.5500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  683.7800  218.6500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  815.7500  219.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  766.6200  219.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
 1001.5700  221.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  352.7800  222.0600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  975.6900  222.0600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  753.1800  223.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  658.5600  223.8200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  579.0300  224.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  604.2600  224.8200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  400.1400  226.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  450.2600  226.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  475.1600  226.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  524.8400  226.9100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  672.0000  226.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  695.1300  227.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  776.9700  229.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  804.6200  229.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  567.0200  231.7600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  616.7000  232.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  361.8100  232.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  387.7000  234.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  412.5900  233.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  437.8200  234.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  487.4900  234.1800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  512.0600  233.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  536.9500  233.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  648.5400  234.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  721.4600  237.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  748.9900  237.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  676.5100  240.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  735.5600  241.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  829.1900  241.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  773.5600  243.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  567.0200  246.6300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  759.3500  246.9600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  652.6100  247.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  714.5200  249.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  667.1500  250.7000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  699.3200  251.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  736.6600  254.8900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  720.6900  274.6000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  851.3300  170.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  950.7900  179.9800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  974.1400  175.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  901.3300  185.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  835.2400  192.5400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  383.7300  203.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  817.6200  205.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  578.9200  210.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  964.2300  212.3700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  894.2800  213.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  554.3600  220.7400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  634.3300  222.3900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  790.3000  221.9500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  424.7100  223.1600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  338.3500  224.4900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  499.5000  226.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  374.5900  227.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  827.0900  227.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  947.1600  229.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  591.1500  235.3900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  461.8300  233.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  691.0500  239.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  807.9300  243.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  616.0400  245.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  358.4000  246.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  412.2600  247.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  536.7300  247.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  722.6700  260.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  692.7100  264.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  885.5800  206.4200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  304.4500  223.9900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  604.2600  210.4200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  983.9700  192.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  966.9400  163.3300    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  981.3400  163.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  988.0500  179.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 62  2  0  0  0  0
  1 66  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 63  1  0  0  0  0
  4 64  1  0  0  0  0
  6 65  1  0  0  0  0
  7 12  2  0  0  0  0
  7 65  1  0  0  0  0
  8 13  1  0  0  0  0
  8 63  1  0  0  0  0
  9 10  1  0  0  0  0
  9 70  1  0  0  0  0
  9 94  1  6  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 11 66  1  0  0  0  0
 11 68  1  0  0  0  0
 12 16  1  0  0  0  0
 12 71  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 67  2  0  0  0  0
 15 78  1  0  0  0  0
 17 70  1  0  0  0  0
 17 80  2  0  0  0  0
 18 23  2  0  0  0  0
 18 25  1  0  0  0  0
 19 79  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  2  0  0  0  0
 21 37  1  0  0  0  0
 21 68  2  0  0  0  0
 21 79  1  0  0  0  0
 22 26  2  0  0  0  0
 22 36  1  0  0  0  0
 24 40  1  0  0  0  0
 24 76  1  0  0  0  0
 25 70  1  0  0  0  0
 26 49  1  0  0  0  0
 27 34  1  0  0  0  0
 27 47  2  0  0  0  0
 28 38  1  0  0  0  0
 28 69  2  0  0  0  0
 28 81  1  0  0  0  0
 29 39  1  0  0  0  0
 29 81  1  0  0  0  0
 29 93  1  6  0  0  0
 30 41  1  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 31 82  1  0  0  0  0
 32 44  1  0  0  0  0
 32 82  1  0  0  0  0
 33 45  1  0  0  0  0
 33 46  1  0  0  0  0
 34 50  2  0  0  0  0
 35 83  1  0  0  0  0
 36 53  2  0  0  0  0
 36 74  1  0  0  0  0
 37 74  1  0  0  0  0
 37 84  2  0  0  0  0
 38 54  1  1  0  0  0
 38 72  1  0  0  0  0
 39 73  1  0  0  0  0
 39 85  2  0  0  0  0
 40 78  1  0  0  0  0
 40 86  2  0  0  0  0
 41 78  1  0  0  0  0
 42 75  1  0  0  0  0
 42 87  2  0  0  0  0
 43 75  1  0  0  0  0
 44 77  1  0  0  0  0
 45 77  1  0  0  0  0
 46 72  1  0  0  0  0
 46 88  2  0  0  0  0
 47 56  1  0  0  0  0
 47 73  1  0  0  0  0
 48 51  1  0  0  0  0
 48 57  2  0  0  0  0
 49 51  1  0  0  0  0
 49 55  2  0  0  0  0
 50 58  1  0  0  0  0
 50 83  1  0  0  0  0
 51 60  2  0  0  0  0
 52 79  1  0  0  0  0
 53 55  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  1  0  0  0  0
 57 89  1  0  0  0  0
 59 83  1  0  0  0  0
 59 90  2  0  0  0  0
 60 89  1  0  0  0  0
 61 89  1  0  0  0  0
 64 95  1  0  0  0  0
 64 96  2  0  0  0  0
 64 97  2  0  0  0  0
 71 91  1  0  0  0  0
 76 92  1  0  0  0  0
M  END
>  <Formula>
C64HN13O17S2

$$$$
