D0Q5KZ -OEChem-04152111342D 64 66 0 1 0 0 0 0 0999 V2000 7.8781 5.8271 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.2690 9.4503 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3435 4.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8016 4.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 6.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 5.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 6.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4442 3.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4645 5.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 6.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 4.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 2.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1884 6.0394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 1.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4775 7.1962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8347 5.5014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1239 6.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 6.0051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3452 5.0626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3947 5.3733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3919 3.7552 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8055 4.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8072 5.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4679 6.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2099 5.8332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1552 5.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1368 4.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8562 5.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4990 6.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1454 6.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5696 6.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 4.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7825 5.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 3.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 4.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 4.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0284 4.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9293 6.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1043 7.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5992 5.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 6.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 6.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 4.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 3.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 6.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0850 7.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0285 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2114 4.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3165 7.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5380 6.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 9.4503 0.0000 H 0 5 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 3 23 1 0 0 0 0 3 25 1 0 0 0 0 4 27 1 0 0 0 0 4 29 1 0 0 0 0 22 5 1 1 0 0 0 6 30 1 0 0 0 0 7 24 1 0 0 0 0 7 54 1 0 0 0 0 8 31 1 0 0 0 0 8 57 1 0 0 0 0 9 58 1 0 0 0 0 11 35 2 0 0 0 0 12 37 2 0 0 0 0 13 25 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 29 14 1 6 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 33 2 0 0 0 0 15 34 1 0 0 0 0 16 32 1 0 0 0 0 16 38 2 0 0 0 0 17 36 2 0 0 0 0 17 39 1 0 0 0 0 18 35 1 0 0 0 0 18 39 2 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 59 1 0 0 0 0 20 38 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 39 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 1 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 31 1 6 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 33 55 1 0 0 0 0 34 37 1 0 0 0 0 36 56 1 0 0 0 0 M CHG 2 2 1 64 -1 M END $$$$