TJL0164
 OpenBabel09292510182D

103112  0  0  1  0  0  0  0  0999 V2000
  528.5200   90.9700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  541.7200   93.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  643.4900   93.4500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  521.3000  103.1600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  643.1500  107.8900    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  568.6900  107.8900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  618.3300  107.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  692.6800  107.8900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  530.3300  113.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  580.5400  114.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  655.3400  114.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  680.5000  114.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  705.2100  115.0000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  556.1700  115.0000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  605.7000  115.0000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  680.5000  129.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  705.2100  128.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  605.7000  130.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  692.6800  136.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  717.5000  136.2100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  432.9600  148.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  446.6100  153.1400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  730.8200  153.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  422.1300  157.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  449.4300  166.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  474.9300  168.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  636.6100  169.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  661.4300  170.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  710.9600  169.9500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  529.8800  171.4100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  544.6600  171.4100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  748.4200  171.4100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  424.9500  171.7500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  500.4300  172.2000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  438.7200  176.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  486.4400  176.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  648.7900  177.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  673.6200  177.1700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  698.4400  177.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  723.2600  176.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  508.6700  183.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  523.1100  183.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  551.8800  183.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  755.1900  184.0500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  768.8400  185.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  458.8000  187.6600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  609.3100  188.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  444.8100  189.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  698.4400  191.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  723.2600  191.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  500.7700  194.7700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  530.3300  195.9000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  544.6600  195.9000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  573.4300  195.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  587.7600  195.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  474.5900  198.7200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  710.9600  198.3800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  771.7700  199.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  733.9800  199.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  609.6400  202.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  784.9700  205.6000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  758.8000  206.6100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  591.3700  221.0600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  552.8900   83.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  617.9900   93.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  592.9500  103.7200    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  667.5200  103.9400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  506.0700  104.8500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  543.4200  108.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  630.1800  118.9500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  527.0600  127.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  580.5400  128.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  655.1100  128.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  741.7600  144.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  407.8000  149.7500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  716.9400  150.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  476.4000  153.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  635.7100  155.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  760.7200  160.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  397.2000  162.9500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
  734.2000  168.7100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  685.3500  170.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  461.5100  174.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  764.5500  174.4600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  619.8000  177.3900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  569.0300  183.2600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  595.3200  184.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  486.1000  190.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  748.1900  196.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  678.1300  198.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  564.9700  208.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  595.3200  207.7400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  730.8200  214.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  669.7800  191.9500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  313.1700  102.3500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  384.7300  155.7500    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  383.2900  166.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  376.0900  179.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  361.6900  179.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  354.4900  191.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  340.0900  191.6200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  411.1100  166.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  773.1900  152.9300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 64  2  0  0  0  0
  2 69  1  0  0  0  0
  4  9  1  0  0  0  0
  4 68  1  0  0  0  0
  5  3  1  6  0  0  0
  5 11  1  0  0  0  0
  5 70  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 65  2  0  0  0  0
  7 70  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 69  1  0  0  0  0
  9 71  2  0  0  0  0
 10 66  1  0  0  0  0
 10 72  2  0  0  0  0
 11 67  1  0  0  0  0
 11 73  2  0  0  0  0
 12 16  1  0  0  0  0
 12 67  1  0  0  0  0
 13 17  2  0  0  0  0
 14 69  1  0  0  0  0
 15 18  1  1  0  0  0
 15 66  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 76  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 74  2  0  0  0  0
 23 76  1  0  0  0  0
 23 81  1  0  0  0  0
 24 33  2  0  0  0  0
 24 75  1  0  0  0  0
 25 35  2  0  0  0  0
 25 83  1  0  0  0  0
 26 36  1  0  0  0  0
 26 77  2  0  0  0  0
 26 83  1  0  0  0  0
 27 37  1  0  0  0  0
 27 78  2  0  0  0  0
 27 85  1  0  0  0  0
 28 37  1  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 29 40  2  0  0  0  0
 30 31  2  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 44  1  0  0  0  0
 32 79  1  0  0  0  0
 32 81  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 41  1  0  0  0  0
 35 48  1  0  0  0  0
 36 88  1  0  0  0  0
 38 82  1  0  0  0  0
 39 49  2  0  0  0  0
 39 82  1  0  0  0  0
 40 50  1  0  0  0  0
 40 81  1  0  0  0  0
 41 42  1  0  0  0  0
 41 51  2  0  0  0  0
 42 52  2  0  0  0  0
 43 53  2  0  0  0  0
 43 86  1  0  0  0  0
 44 45  1  0  0  0  0
 44 84  1  6  0  0  0
 44 89  1  0  0  0  0
 45 58  1  0  0  0  0
 46 48  2  0  0  0  0
 46 83  1  0  0  0  0
 47 60  2  0  0  0  0
 47 85  1  0  0  0  0
 47 87  1  0  0  0  0
 49 57  1  0  0  0  0
 49 90  1  0  0  0  0
 50 57  2  0  0  0  0
 50 59  1  0  0  0  0
 51 88  1  0  0  0  0
 52 53  1  0  0  0  0
 54 55  1  0  0  0  0
 54 86  1  0  0  0  0
 54 91  2  0  0  0  0
 55 87  2  0  0  0  0
 55 92  1  0  0  0  0
 56 88  1  0  0  0  0
 58 61  2  0  0  0  0
 58 62  1  0  0  0  0
 59 89  1  0  0  0  0
 59 93  2  0  0  0  0
 60 92  1  0  0  0  0
 62 89  1  0  0  0  0
 63 92  1  0  0  0  0
 68 95  1  0  0  0  0
 75 80  1  0  0  0  0
 79103  1  0  0  0  0
 80 96  1  0  0  0  0
 80 97  1  0  0  0  0
 80102  2  0  0  0  0
 90 94  1  0  0  0  0
 97 98  1  0  0  0  0
 98 99  1  0  0  0  0
 99100  1  0  0  0  0
100101  1  0  0  0  0
M  END
>  <Formula>
C69HN13O18PS

$$$$
