D02ITS -OEChem-10191522012D 57 59 0 1 0 0 0 0 0999 V2000 10.1755 -3.6307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 0.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 2.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 0.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 0.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 1.9081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1435 -0.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6298 1.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 2.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 1.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 1.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 1.0082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0270 1.3683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4154 0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 2.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 2.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6787 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0945 -0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 2.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 2.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 2.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4878 0.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2865 0.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8012 1.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 2.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 1.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0608 3.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 4.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 3.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 2.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 2.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -0.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 0.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5498 1.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2234 -1.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -0.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 15 2 1 1 0 0 0 2 50 1 0 0 0 0 16 3 1 1 0 0 0 3 51 1 0 0 0 0 4 26 1 0 0 0 0 4 57 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 0 0 0 0 7 11 2 0 0 0 0 8 23 2 0 0 0 0 8 31 1 0 0 0 0 9 29 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 22 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 30 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$