B81JYI -OEChem-04012114082D 53 55 0 0 0 0 0 0 0999 V2000 12.4146 3.6599 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.5924 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6104 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.3832 -2.1911 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.4198 0.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.5059 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4877 -3.1856 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3148 -3.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8900 1.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8362 -0.2630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 -1.6607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 -0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3784 -0.0516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 -0.7947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 2.5032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7682 4.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8362 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4198 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8900 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4198 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1469 2.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1874 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9198 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9198 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 3.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9198 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9198 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4198 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 3.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4361 3.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7252 4.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 2.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -3.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -2.7243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 -2.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -2.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6482 -1.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6098 1.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6098 -0.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8724 2.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2298 1.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2298 -0.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3756 4.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3145 4.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9178 5.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1359 4.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 27 1 0 0 0 0 5 34 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 10 19 2 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 12 19 1 0 0 0 0 12 20 2 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 15 24 2 0 0 0 0 15 36 1 0 0 0 0 16 35 1 0 0 0 0 16 36 2 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 26 2 0 0 0 0 21 38 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 27 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 31 1 0 0 0 0 25 28 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 32 1 0 0 0 0 29 45 1 0 0 0 0 30 33 2 0 0 0 0 30 46 1 0 0 0 0 31 35 2 0 0 0 0 31 47 1 0 0 0 0 32 34 2 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 35 50 1 0 0 0 0 37 51 1 0 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 7 -1 M END $$$$