LJ9TA7 -OEChem-05032301092D 75 77 0 1 0 0 0 0 0999 V2000 9.1087 2.4781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2182 -1.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 2.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2727 0.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3315 -2.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5694 -0.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 2.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4507 3.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4560 0.5085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4280 2.0582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 -0.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 -1.0721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2036 -0.1062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5125 -1.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9402 0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 -1.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 -1.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 -0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4521 -1.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9278 1.4521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1618 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 1.1513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8580 2.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 2.1361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7852 2.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8981 1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 -1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8636 -1.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0373 -2.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6297 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9770 -2.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1506 -3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 -1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -1.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9659 -0.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 1.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 0.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -2.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 -2.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 0.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5753 -2.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 -2.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 0.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9271 -2.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1422 -2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 -1.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3571 1.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6367 0.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8518 0.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6395 1.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 2.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6872 3.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 1.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4942 3.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2992 3.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 -0.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8734 0.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0465 2.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8163 -0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9296 -2.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4173 -2.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5596 -2.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7068 3.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7612 -3.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -4.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 -3.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3445 -1.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2180 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1415 -2.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0614 3.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 27 3 1 1 0 0 0 3 68 1 0 0 0 0 4 29 2 0 0 0 0 5 30 2 0 0 0 0 6 33 2 0 0 0 0 7 75 1 0 0 0 0 25 10 1 6 0 0 0 10 33 1 0 0 0 0 10 62 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 63 1 0 0 0 0 12 30 1 0 0 0 0 31 12 1 6 0 0 0 12 64 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 37 1 1 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 38 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 1 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 6 0 0 0 23 26 1 0 0 0 0 23 29 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 67 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 M END $$$$