D06EQP -OEChem-10101305022D 45 47 0 1 0 0 0 0 0999 V2000 4.6660 -2.4827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3369 1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 1.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -0.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7562 -1.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6022 -1.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 -0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 22 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 12 16 2 0 0 0 0 12 30 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 36 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$