HM0194
 OpenBabel09292510182D

118122  0  0  1  0  0  0  0  0999 V2000
  581.0500  538.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  555.6400  537.5000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  543.5900  544.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  543.1500  601.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  542.7000  560.1800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  531.4300  565.8100    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  530.8800  537.6400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  518.9400  544.4800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  519.1600  558.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  518.8300  601.5900    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  506.2300  579.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  506.0100  608.4200    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  493.7400  601.8400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  493.8500  587.2000    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  480.8100  579.7300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  469.9700  587.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  468.6500  558.4000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  456.9400  579.5400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  457.0500  565.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  444.6700  557.8800    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  432.6200  579.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  419.8000  586.6300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  407.0900  579.1600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  395.0400  586.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  382.0000  578.9600    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  369.9500  586.2400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  356.2600  564.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  345.3200  584.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  341.9800  561.2700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  334.9500  573.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  593.9800  544.9500    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  580.8400  522.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  568.4600  544.8600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  562.0100  609.8500    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  543.4800  586.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  531.5100  612.6900    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  518.7200  586.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  503.1500  565.2700    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  469.2000  601.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  445.1900  590.4600    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  432.2900  564.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  367.3400  554.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  357.9100  578.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  341.1400  598.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  303.8800  581.2500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  292.6300  559.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  292.4600  574.6400    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  280.5600  580.6400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  268.2300  574.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  255.6500  580.7000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  310.5700  553.1200    0.0000 N   0  0  0  0  0  1  0  0  0  0  0  0
  243.6800  572.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  226.2900  580.9300    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  268.2700  559.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  280.8200  551.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  316.3600  574.0700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  907.0800  522.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  895.1400  529.5100    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  870.0600  529.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  857.6800  521.9600    0.0000 C   0  0  1  0  0  3  0  0  0  0  0  0
  857.4600  550.9000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  845.7400  529.5700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  833.0300  521.7700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  830.3900  507.4400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  816.9900  505.0300    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  809.8400  518.4000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  807.8300  535.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  795.5700  528.4100    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  795.2400  514.1000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  782.5300  507.0700    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  783.0700  536.0200    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  770.1500  513.9100    0.0000 C   0  0  3  0  0  3  0  0  0  0  0  0
  770.0400  528.5400    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  769.4800  557.1500    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  757.8800  506.4400    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  757.8800  549.3600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  745.7200  528.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  745.1700  556.9600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  733.3400  535.1900    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  733.2300  549.5000    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  720.4100  556.3300    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  708.2500  535.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  707.7100  506.4900    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  696.0900  513.6700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  695.9800  527.9700    0.0000 C   0  0  2  0  0  3  0  0  0  0  0  0
  683.8300  506.3100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  683.5000  549.1100    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  883.0200  517.3100    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  870.2800  543.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  844.9700  542.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  820.7700  527.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  807.5000  550.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  782.8600  549.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  758.2100  535.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  744.8500  513.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  721.3300  523.5400    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  708.5800  549.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  684.1600  533.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  857.6800  507.5600    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  606.2100  537.3500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  618.9100  544.1500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  631.1400  536.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  643.8400  543.3400    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  656.0700  535.7500    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  668.7700  542.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  668.9000  556.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  893.3600  543.8000    0.0000 C   0  0  0  0  0  2  0  0  0  0  0  0
  907.2700  547.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  911.0000  561.4400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  924.9100  565.1700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  935.0900  554.9800    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  931.3600  541.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  917.4500  537.3500    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  920.9900  518.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  921.7400  504.2400    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  908.3000  499.0700    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
  899.2400  510.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   78.3000  533.4000    0.0000 C   0  0  0  0  0  1  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1 32  2  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  2  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  2  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 39  2  0  0  0  0
 17 19  1  0  0  0  0
 18 16  1  6  0  0  0
 18 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 43  1  0  0  0  0
 27 29  1  0  0  0  0
 27 42  2  0  0  0  0
 27 43  1  0  0  0  0
 28 30  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  2  0  0  0  0
 29 30  2  0  0  0  0
 30 56  1  0  0  0  0
 31100  1  0  0  0  0
 45 47  1  0  0  0  0
 45 56  1  0  0  0  0
 46 47  1  0  0  0  0
 46 51  1  0  0  0  0
 46 55  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 54  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 57 58  1  0  0  0  0
 57114  1  0  0  0  0
 58 88  1  0  0  0  0
 58107  1  1  0  0  0
 59 60  1  0  0  0  0
 59 88  1  0  0  0  0
 59 89  2  0  0  0  0
 60 62  1  0  0  0  0
 60 99  1  6  0  0  0
 61 90  1  0  0  0  0
 62 90  1  6  0  0  0
 63 62  1  6  0  0  0
 63 91  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 91  1  0  0  0  0
 67 68  1  0  0  0  0
 67 91  1  0  0  0  0
 67 92  2  0  0  0  0
 69 70  1  0  0  0  0
 70 72  1  0  0  0  0
 71 68  1  6  0  0  0
 71 73  1  0  0  0  0
 71 93  1  0  0  0  0
 72 75  1  0  0  0  0
 73 94  1  6  0  0  0
 73 72  1  0  0  0  0
 74 93  1  0  0  0  0
 76 94  1  0  0  0  0
 77 94  1  0  0  0  0
 77 95  2  0  0  0  0
 78 80  1  0  0  0  0
 79 77  1  1  0  0  0
 79 96  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 82 96  1  0  0  0  0
 82 97  2  0  0  0  0
 83 84  1  0  0  0  0
 84 86  1  0  0  0  0
 85 82  1  6  0  0  0
 85 98  1  0  0  0  0
 85 84  1  0  0  0  0
 87 98  1  0  0  0  0
100101  1  0  0  0  0
101102  1  0  0  0  0
102103  1  0  0  0  0
103104  1  0  0  0  0
104105  1  0  0  0  0
105 98  1  0  0  0  0
105106  2  0  0  0  0
107108  1  0  0  0  0
108109  2  0  0  0  0
109110  1  0  0  0  0
110111  2  0  0  0  0
111112  1  0  0  0  0
112113  2  0  0  0  0
113108  1  0  0  0  0
114115  1  0  0  0  0
115116  2  0  0  0  0
116117  1  0  0  0  0
117 57  2  0  0  0  0
118 53  1  0  0  0  0
M  END
>  <Formula>
C81N16O19S2

$$$$
