D0H6DA -OEChem-10101305022D 45 45 0 1 0 0 0 0 0999 V2000 2.5369 1.3856 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6382 3.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1030 2.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 3.4734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6350 4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8951 3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2415 4.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 5.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 5.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 4.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 3.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 2.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 2.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 2.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2279 3.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 43 1 0 0 0 0 2 15 2 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 17 2 0 0 0 0 5 20 2 0 0 0 0 6 23 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 16 8 1 1 0 0 0 8 20 1 0 0 0 0 8 32 1 0 0 0 0 19 9 1 6 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 23 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 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 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$