TJL0407
 OpenBabel09292510192D

111115  0  0  1  0  0  0  0  0999 V2000
  895.4900   83.3300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  844.4400   86.2700    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  933.3900   86.5900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  919.4900   90.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  868.3400   91.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  854.8700   95.8200    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  824.1300   97.3400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  943.0500   97.3400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  892.3400   98.0000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  915.9000  104.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  902.0000  107.9900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  851.9400  109.8300    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  939.8000  110.9200    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  725.9600  112.3300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  750.9400  111.9000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  799.1500  111.9000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  824.4600  112.3300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  925.8900  114.8300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  876.5900  116.5700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  738.4500  119.3900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  811.9700  119.0600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  862.3600  119.8200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  883.4300  128.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  541.7700  133.7300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  567.0700  133.4000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  640.5900  133.4000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  713.7900  133.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  738.4500  133.7300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  786.9900  133.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  811.9700  133.7300    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  836.6200  133.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  664.9200  133.7300    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  689.5700  133.7300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  874.4200  139.4800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  554.5800  140.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  628.1000  140.4600    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  652.4300  140.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  676.6500  140.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  750.1700  140.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  775.1500  140.8900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  824.1300  140.4600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  848.0300  140.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  554.5800  154.7900    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  604.2100  154.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  628.1000  154.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  652.7600  154.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  677.4100  154.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  775.1500  154.7900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  726.2800  155.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  799.4800  155.1200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  567.0700  161.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  590.9600  161.9600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  640.5900  162.2900    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  762.3400  162.2900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  787.7500  161.9600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  836.9500  161.9600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  591.4000  176.5100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  871.8100   77.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  878.0000  103.2100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  837.4900  113.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  713.0300  118.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  786.7700  118.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  894.2900  121.8900    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  762.0100  132.9700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  860.7300  133.5100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  725.6300  140.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  602.8000  140.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  700.9800  140.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  799.4800  140.4600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  578.4700  150.4500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  750.0700  155.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  823.5900  155.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  848.0300  155.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  615.4000  165.8700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  663.9400  161.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  689.0300  161.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  565.9800  175.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  830.2900  126.3200    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  528.4300  154.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  540.9000  162.0700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  528.4300  140.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  198.1700  151.3800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  242.6200  137.2600    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  256.6400  139.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  235.6100  149.0900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  283.4800  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  308.5600  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  332.8800  154.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  357.6300  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  407.3600  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  432.3300  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  481.7300  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  506.4800  154.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  244.8100  159.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  270.6600  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  295.6300  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  320.3900  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  370.1200  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  394.7600  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  444.6000  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  468.9100  161.5800    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  267.1600  129.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  332.1100  139.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  257.5200  153.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  381.7300  153.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  455.9900  153.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  344.1600  164.8700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  418.7500  160.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  493.2300  160.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  241.5300  173.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  518.9500  161.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 58  2  0  0  0  0
  5 59  1  0  0  0  0
  6  2  1  6  0  0  0
  6 12  1  0  0  0  0
  7 17  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  1  0  0  0
  9 11  1  0  0  0  0
  9 59  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 63  1  1  0  0  0
 12 60  1  1  0  0  0
 13 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 23  1  0  0  0  0
 21 16  1  6  0  0  0
 21 30  1  0  0  0  0
 22 65  1  0  0  0  0
 22 12  1  1  0  0  0
 22 19  1  0  0  0  0
 23 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  2  0  0  0  0
 27 61  2  0  0  0  0
 27 66  1  0  0  0  0
 27 68  1  0  0  0  0
 28 20  1  6  0  0  0
 28 39  1  0  0  0  0
 28 66  1  0  0  0  0
 29 62  2  0  0  0  0
 29 69  1  0  0  0  0
 30 41  1  0  0  0  0
 30 69  1  6  0  0  0
 31 42  1  0  0  0  0
 32 37  1  0  0  0  0
 32 38  2  0  0  0  0
 33 38  1  0  0  0  0
 33 68  1  0  0  0  0
 34 65  1  0  0  0  0
 35 43  1  0  0  0  0
 36 45  2  0  0  0  0
 37 46  1  0  0  0  0
 38 47  1  0  0  0  0
 39 64  1  0  0  0  0
 39 71  2  0  0  0  0
 40 29  1  1  0  0  0
 40 48  1  0  0  0  0
 40 64  1  0  0  0  0
 41 31  1  6  0  0  0
 41 72  1  0  0  0  0
 42 65  1  0  0  0  0
 42 73  2  0  0  0  0
 43 51  1  0  0  0  0
 43 80  1  0  0  0  0
 44 52  1  0  0  0  0
 44 67  2  0  0  0  0
 44 74  1  0  0  0  0
 45 53  1  0  0  0  0
 45 74  1  0  0  0  0
 46 53  2  0  0  0  0
 46 75  1  0  0  0  0
 47 75  1  0  0  0  0
 47 76  2  0  0  0  0
 48 54  1  0  0  0  0
 48 55  1  0  0  0  0
 49 66  1  0  0  0  0
 50 69  1  0  0  0  0
 51 70  1  0  0  0  0
 51 77  2  0  0  0  0
 52 57  1  0  0  0  0
 52 70  1  0  0  0  0
 56 72  1  0  0  0  0
 60 78  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 79111  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  1  0  0  0  0
 84102  2  0  0  0  0
 84104  1  0  0  0  0
 85 94  1  0  0  0  0
 86 95  1  0  0  0  0
 86 96  1  0  0  0  0
 87 96  1  0  0  0  0
 87 97  1  0  0  0  0
 88 97  1  0  0  0  0
 88103  2  0  0  0  0
 88107  1  0  0  0  0
 89 98  1  0  0  0  0
 89107  1  0  0  0  0
 90 99  1  0  0  0  0
 90108  1  0  0  0  0
 91100  1  0  0  0  0
 91108  1  0  0  0  0
 92101  1  0  0  0  0
 92109  1  0  0  0  0
 93109  1  0  0  0  0
 93111  1  0  0  0  0
 94104  1  0  0  0  0
 94110  2  0  0  0  0
 95104  1  0  0  0  0
 98105  1  0  0  0  0
 99105  1  0  0  0  0
100106  1  0  0  0  0
101106  1  0  0  0  0
M  END
>  <Formula>
C80N10O21

$$$$
