L3OPT2 -OEChem-05022322562D 46 49 0 1 0 0 0 0 0999 V2000 8.9962 -2.3318 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8622 -0.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6682 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9962 0.6682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9097 0.2614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3318 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5321 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1007 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0788 1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3575 2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5734 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 1.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 2.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 2.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -1.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 2.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7724 2.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8968 2.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9427 1.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5086 0.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 0.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6382 1.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 24 2 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$