D02VSP -OEChem-10101305022D 43 45 0 1 0 0 0 0 0999 V2000 12.0605 -1.7827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0605 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6854 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0605 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0605 -2.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0605 -0.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9874 0.8081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5605 -0.9166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 0.3604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.3678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7286 -0.1578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3844 0.0003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2508 1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 -1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2799 -0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8193 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 0.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 2.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2528 1.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 2.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5086 -0.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5173 0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5686 2.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 1.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8557 -1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -1.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6734 -0.8653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 -1.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 0.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5613 -0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7298 1.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4835 2.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 0.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 0.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 1.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9243 0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 3.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 3.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3705 -2.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 9 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 43 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 33 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 1 0 0 0 13 16 1 0 0 0 0 13 18 1 1 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$