L86GSC -OEChem-05022322512D 42 44 0 0 0 0 0 0 0999 V2000 5.8076 3.9188 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 -1.5757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 3.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8076 3.9188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 -0.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -0.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 4.9188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.8131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 -4.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 -2.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 1.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6737 1.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6737 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 -3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -5.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -4.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6223 -4.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -5.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 -0.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 1.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 1.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 2.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 2.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 -2.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 -5.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 -3.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -4.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 -5.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2389 -4.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 -5.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 5.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 5.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -0.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 27 1 0 0 0 0 7 16 2 0 0 0 0 7 21 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 21 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 22 2 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 23 2 0 0 0 0 14 24 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 M END $$$$