B8KR1Q -OEChem-04012114042D 52 55 0 1 0 0 0 0 0999 V2000 6.9453 4.8427 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0223 2.2549 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3774 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.6729 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 3.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -3.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 3.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 2.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 3.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 0.4948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -1.1232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 4.8427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2132 3.8427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3193 5.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 4.8635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3193 3.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 5.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 5.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9453 3.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -1.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -2.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 5.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7239 5.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 5.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 4.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 2.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7239 2.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4778 5.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 5.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8612 5.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 5.6789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 4.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 0.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 3.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 2.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 0.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -3.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 -2.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4105 -1.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -1.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -4.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 24 2 0 0 0 0 7 29 1 0 0 0 0 7 31 1 0 0 0 0 8 14 1 0 0 0 0 8 21 2 0 0 0 0 9 19 2 0 0 0 0 9 22 1 0 0 0 0 10 21 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 22 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 12 25 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 6 0 0 0 14 17 1 0 0 0 0 14 19 1 6 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 1 1 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$