D04IIK -OEChem-04152110122D 43 46 0 1 0 0 0 0 0999 V2000 5.5442 2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3903 -1.7816 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 -1.2846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 -1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2814 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3829 -2.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2452 -3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 -1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -2.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -2.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4575 -1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8685 -1.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8885 -0.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5131 0.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 -2.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 -3.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 1.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1095 1.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9312 -3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 -3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5591 -2.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 1.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7203 2.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 3.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 3.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$