D07HET -OEChem-10191521492D 45 48 0 0 0 0 0 0 0999 V2000 7.2144 2.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 2.3695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.4184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.4184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 -3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8324 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7834 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4776 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6856 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 1.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 1.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 3.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 3.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1589 3.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6204 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4263 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 3.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 0.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 3.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6204 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4263 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0713 0.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9384 2.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2752 1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 3.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 2.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 2.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 3 12 2 0 0 0 0 4 5 2 0 0 0 0 5 19 1 0 0 0 0 6 27 3 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 14 33 1 0 0 0 0 15 21 2 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 23 1 0 0 0 0 17 36 1 0 0 0 0 18 24 2 0 0 0 0 18 37 1 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$