TJL0163
 OpenBabel09292510182D

102111  0  0  1  0  0  0  0  0999 V2000
  620.7000   96.6700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  634.4400   99.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  735.4400   99.8000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  613.7800  109.0700    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  661.5900  113.8700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  735.7800  113.5400    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  785.6000  113.8700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  711.4200  113.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  623.0500  119.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  648.8600  120.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  674.3300  120.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  698.6800  120.8000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  748.1800  120.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  772.8700  120.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  798.0000  121.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  772.8700  135.2100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  798.0000  135.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  698.3500  136.5500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  785.6000  142.0300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  810.4100  142.3600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  525.5200  154.4300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  539.2600  159.2300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  823.8100  160.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  514.9000  164.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  542.0500  172.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  567.7500  174.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  728.6300  176.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  753.9900  176.1000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  803.8100  176.1000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  622.7100  177.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  637.2400  177.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  841.2400  177.4400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  517.9200  178.1100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  592.8800  178.4500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  530.9900  182.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  579.1400  182.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  741.7000  183.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  766.3900  183.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  790.7400  183.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  816.2200  182.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  442.0600  187.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  456.1400  187.3900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  601.4900  189.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  615.9000  189.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  644.3900  189.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  847.5000  190.1800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  861.9100  192.1900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  551.3200  193.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  702.1500  194.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  537.2500  195.3200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  791.0800  197.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  816.2200  197.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  593.5500  201.1300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  623.0500  201.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  637.2400  201.8000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  666.0600  201.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  680.4700  201.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  803.8100  204.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  567.0800  204.9300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  864.2600  205.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  827.1600  205.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  702.1500  209.0600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  877.3300  211.8500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  851.6300  212.8600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  684.2700  226.9300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  645.2800   90.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  710.5300   99.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  685.6100  109.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  760.5800  109.9600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  598.6900  110.6300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  636.1200  114.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  723.0400  124.9300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  619.4700  133.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  673.6600  134.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  747.8400  134.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  834.2000  150.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  500.6000  155.6600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  482.3900  155.3200    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  810.1800  156.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  568.8600  159.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  728.4000  161.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  853.5300  166.2700    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  489.9900  168.8400    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
  826.8300  174.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  462.6200  174.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  778.1200  176.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  554.2300  179.6800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  857.2200  180.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  492.8900  182.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  712.6500  183.5900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  661.7000  189.5100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  688.1800  190.5100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  578.9200  196.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  415.6900  200.0100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  434.3500  200.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  840.7900  203.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  770.8600  205.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  688.1800  213.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  657.7900  213.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  823.2500  220.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  762.2500  197.8900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  382.3400  109.9700    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 66  2  0  0  0  0
  2 71  1  0  0  0  0
  4  9  1  0  0  0  0
  4 70  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  3  1  6  0  0  0
  6 13  1  0  0  0  0
  6 72  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 67  2  0  0  0  0
  8 72  1  0  0  0  0
  9 71  1  0  0  0  0
  9 73  2  0  0  0  0
 10 71  1  0  0  0  0
 11 68  1  0  0  0  0
 11 74  2  0  0  0  0
 12 18  1  1  0  0  0
 12 68  1  0  0  0  0
 13 69  1  0  0  0  0
 13 75  2  0  0  0  0
 14 16  1  0  0  0  0
 14 69  1  0  0  0  0
 15 17  2  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 79  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 76  2  0  0  0  0
 23 79  1  0  0  0  0
 23 84  1  0  0  0  0
 24 33  2  0  0  0  0
 24 77  1  0  0  0  0
 25 35  2  0  0  0  0
 25 87  1  0  0  0  0
 26 36  1  0  0  0  0
 26 80  2  0  0  0  0
 26 87  1  0  0  0  0
 27 37  1  0  0  0  0
 27 81  2  0  0  0  0
 27 90  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 44  1  0  0  0  0
 31 45  1  0  0  0  0
 32 46  1  0  0  0  0
 32 82  1  0  0  0  0
 32 84  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 43  1  0  0  0  0
 35 50  1  0  0  0  0
 36 93  1  0  0  0  0
 38 86  1  0  0  0  0
 39 51  2  0  0  0  0
 39 86  1  0  0  0  0
 40 52  1  0  0  0  0
 40 84  1  0  0  0  0
 41 42  1  0  0  0  0
 41 95  1  0  0  0  0
 42 85  1  0  0  0  0
 43 44  1  0  0  0  0
 43 53  2  0  0  0  0
 44 54  2  0  0  0  0
 45 55  2  0  0  0  0
 45 91  1  0  0  0  0
 46 47  1  0  0  0  0
 46 88  1  6  0  0  0
 46 96  1  0  0  0  0
 47 60  1  0  0  0  0
 48 50  2  0  0  0  0
 48 87  1  0  0  0  0
 49 62  2  0  0  0  0
 49 90  1  0  0  0  0
 49 92  1  0  0  0  0
 51 58  1  0  0  0  0
 51 97  1  0  0  0  0
 52 58  2  0  0  0  0
 52 61  1  0  0  0  0
 53 93  1  0  0  0  0
 54 55  1  0  0  0  0
 56 57  1  0  0  0  0
 56 91  1  0  0  0  0
 56 99  2  0  0  0  0
 57 92  2  0  0  0  0
 57 98  1  0  0  0  0
 59 93  1  0  0  0  0
 60 63  2  0  0  0  0
 60 64  1  0  0  0  0
 61 96  1  0  0  0  0
 61100  2  0  0  0  0
 62 98  1  0  0  0  0
 64 96  1  0  0  0  0
 65 98  1  0  0  0  0
 70102  1  0  0  0  0
 77 83  1  0  0  0  0
 78 83  1  0  0  0  0
 83 85  1  0  0  0  0
 83 89  2  0  0  0  0
 94 95  1  0  0  0  0
 97101  1  0  0  0  0
M  END
>  <Formula>
C68HN13O18PS

$$$$
