B9OR5N -OEChem-04012120362D 51 53 0 1 0 0 0 0 0999 V2000 9.7942 -0.6956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8044 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2942 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6603 2.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8190 -2.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1956 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6685 -0.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6685 0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1134 -1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1469 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8861 -3.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5582 -3.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5918 -3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8195 -0.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -0.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -0.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9734 -0.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7094 -1.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2869 -3.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9957 -3.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4301 -4.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 5 16 2 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 8 21 2 0 0 0 0 9 24 2 0 0 0 0 10 27 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 22 1 0 0 0 0 12 26 2 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 47 1 0 0 0 0 31 33 2 0 0 0 0 31 48 1 0 0 0 0 32 34 2 0 0 0 0 32 49 1 0 0 0 0 33 34 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$