TJL0126
 OpenBabel09292510182D

109118  0  0  1  0  0  0  0  0999 V2000
  197.9000   91.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  259.7100  101.5400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  276.5000  105.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  541.4800  105.0300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  587.1100  113.9300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  251.1500  116.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  598.7100  117.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  541.8200  119.4500    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  516.3600  119.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  309.5100  122.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  370.2300  122.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  400.4300  122.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  461.1500  122.4900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  578.5500  122.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  503.7400  126.6600    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  554.4400  126.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  601.1900  128.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.4200  129.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  324.2700  130.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  475.9100  130.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  294.4100  131.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  355.1400  131.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  415.5200  131.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  446.0600  131.0500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  613.8100  131.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  581.2500  134.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  592.8500  136.9100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  504.0800  141.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  490.6700  148.6300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  516.7000  148.1800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  630.6000  149.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  535.6200  165.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  560.6300  165.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  610.7700  165.0800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  647.5700  165.4100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  623.0500  171.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  548.2400  172.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  573.3600  172.2900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  597.7000  172.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  655.7900  179.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  669.1300  181.1900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  510.9500  184.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  623.3900  186.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  598.0400  186.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  610.7700  193.9200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  671.8300  195.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  634.0900  195.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  516.7000  197.3000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  368.2100  197.9700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  448.0800  199.3300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  494.3900  199.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  684.9000  201.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  658.7600  202.1400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  434.3400  202.8200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  343.7600  203.1600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  321.1100  206.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  356.8300  205.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  379.4700  206.5400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  457.6600  209.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  484.1400  209.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  334.1800  213.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  430.9600  216.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  404.1500  216.5600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  361.0000  218.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  417.8900  219.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  507.7900  219.9400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  454.2800  222.3100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  440.5400  225.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  338.3500  226.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  397.2700  228.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  351.9800  229.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  383.3000  229.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  418.9000  233.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  403.4700  252.5000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  249.1200   91.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  289.4600   93.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  516.0200  104.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  491.1200  115.1700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  566.9400  115.2800    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  339.7000  118.4300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  430.6200  122.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  278.4200  122.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  528.7500  130.6000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  384.6600  131.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  641.0700  139.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  553.7600  141.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  616.6300  145.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  258.8100  146.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  323.7100  148.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  476.0200  148.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  535.0600  150.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  659.3200  153.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  634.0900  163.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  584.9700  165.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  513.6500  172.7400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  497.2000  186.0300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  320.7800  188.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  648.1700  192.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  578.1000  194.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  470.7300  201.4700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  505.8800  206.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  630.8200  209.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  304.8900  212.6200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  374.8500  219.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  487.5200  221.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  406.0600  238.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  377.4500  242.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  667.5100  172.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  565.6200  186.8300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 75  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 75  1  0  0  0  0
  3 76  2  0  0  0  0
  3 82  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6 18  1  0  0  0  0
  7 17  2  0  0  0  0
  8  4  1  6  0  0  0
  8 16  1  0  0  0  0
  8 83  1  0  0  0  0
  9 77  2  0  0  0  0
  9 83  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 84  1  0  0  0  0
 12 23  1  0  0  0  0
 12 84  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 14 26  1  0  0  0  0
 14 79  1  0  0  0  0
 15  9  1  1  0  0  0
 15 28  1  0  0  0  0
 15 78  1  0  0  0  0
 16 79  1  0  0  0  0
 16 86  2  0  0  0  0
 17 25  1  0  0  0  0
 17 27  1  0  0  0  0
 18 82  1  0  0  0  0
 18 88  2  0  0  0  0
 19 80  1  0  0  0  0
 19 89  2  0  0  0  0
 20 78  1  0  0  0  0
 20 90  2  0  0  0  0
 21 82  1  0  0  0  0
 22 80  1  0  0  0  0
 23 81  1  0  0  0  0
 24 81  1  0  0  0  0
 25 87  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 85  2  0  0  0  0
 31 87  1  0  0  0  0
 31 93  1  0  0  0  0
 32 37  1  0  0  0  0
 32 91  2  0  0  0  0
 32 95  1  0  0  0  0
 33 37  1  0  0  0  0
 33 38  1  0  0  0  0
 34 36  2  0  0  0  0
 34 39  1  0  0  0  0
 35 92  1  0  0  0  0
 35 93  1  0  0  0  0
 36 43  1  0  0  0  0
 36 93  1  0  0  0  0
 38 94  1  0  0  0  0
 39 44  2  0  0  0  0
 39 94  1  0  0  0  0
 40 41  1  0  0  0  0
 40 98  1  0  0  0  0
 40108  1  6  0  0  0
 40 35  1  0  0  0  0
 41 46  1  0  0  0  0
 42 48  2  0  0  0  0
 42 95  1  0  0  0  0
 42 96  1  0  0  0  0
 43 45  2  0  0  0  0
 43 47  1  0  0  0  0
 44 45  1  0  0  0  0
 44 99  1  0  0  0  0
 46 52  2  0  0  0  0
 46 53  1  0  0  0  0
 47 98  1  0  0  0  0
 47102  2  0  0  0  0
 48101  1  0  0  0  0
 49 57  1  0  0  0  0
 49 58  2  0  0  0  0
 50 54  2  0  0  0  0
 50 59  1  0  0  0  0
 51 60  1  0  0  0  0
 51 96  2  0  0  0  0
 51101  1  0  0  0  0
 53 98  1  0  0  0  0
 54 62  1  0  0  0  0
 55 57  1  0  0  0  0
 55 61  2  0  0  0  0
 56 61  1  0  0  0  0
 56 97  2  0  0  0  0
 56103  1  0  0  0  0
 57 64  2  0  0  0  0
 58104  1  0  0  0  0
 59 67  2  0  0  0  0
 59100  1  0  0  0  0
 60100  1  0  0  0  0
 60105  2  0  0  0  0
 61 69  1  0  0  0  0
 62 65  1  0  0  0  0
 62 68  2  0  0  0  0
 63 65  1  0  0  0  0
 63 70  2  0  0  0  0
 64 71  1  0  0  0  0
 64104  1  0  0  0  0
 65 73  2  0  0  0  0
 66101  1  0  0  0  0
 67 68  1  0  0  0  0
 69 71  2  0  0  0  0
 70 72  1  0  0  0  0
 70106  1  0  0  0  0
 72104  1  0  0  0  0
 72107  2  0  0  0  0
 73106  1  0  0  0  0
 74106  1  0  0  0  0
 99109  1  0  0  0  0
M  ISO  1  92   2
M  END
>  <Formula>
C75HDN13O18S

$$$$
