D07TWK -OEChem-10101305022D 44 47 0 1 0 0 0 0 0999 V2000 3.4156 2.0779 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 1.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 2.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9628 3.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 2.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 3.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8459 0.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -1.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2047 -2.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0707 -2.3467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 -2.8814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9367 -0.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3082 0.9403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6742 1.8709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9022 2.5066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0591 1.9688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1285 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 -0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8396 0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 -1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2047 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 -2.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0707 -1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2047 -3.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8081 2.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3679 2.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 1.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 2.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6639 2.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1933 0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8076 2.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 3.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 -2.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5847 -3.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2047 -4.4667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8247 -3.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4737 -1.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9367 -0.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 0.6623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 16 3 1 1 0 0 0 3 35 1 0 0 0 0 17 4 1 1 0 0 0 4 36 1 0 0 0 0 5 19 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 15 9 1 6 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 27 1 0 0 0 0 12 25 2 0 0 0 0 13 24 2 0 0 0 0 13 26 1 0 0 0 0 14 25 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 6 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$