B1NJS2 -OEChem-04012112422D 38 41 0 0 0 0 0 0 0999 V2000 4.6660 -0.1377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 1.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 3.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 13 1 0 0 0 0 2 23 1 0 0 0 0 2 38 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$