B1W2QI -OEChem-04012113132D 55 58 0 0 0 0 0 0 0999 V2000 7.2508 0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3916 -2.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1055 0.9505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0122 -1.8291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 -0.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -1.9982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2691 -2.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -2.9505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5995 -1.8679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6290 -0.3733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.2798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2395 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9715 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2395 2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9715 2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1055 2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1055 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6055 -0.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 -1.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 -0.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9904 -2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 -1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7335 -1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 1.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 2.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6289 1.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0274 0.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 0.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5821 1.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0274 3.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6289 2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5821 2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 3.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 3.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 3.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 -0.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5066 0.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 0.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0623 0.8332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7906 -0.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 -0.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -1.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 -2.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2443 -1.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 -0.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 1.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1306 -0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0626 -0.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 1.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 3.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 8 21 2 0 0 0 0 9 25 2 0 0 0 0 10 25 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 29 2 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$