B4OJT9 -OEChem-04022106303D 37 37 0 1 0 0 0 0 0999 V2000 -0.2290 0.8469 0.6692 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0176 2.0090 -0.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 0.9101 2.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -1.8674 -1.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 -0.7155 -0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4795 1.3824 0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 -3.1503 0.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 0.8643 -0.5637 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 -2.0747 0.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 -0.5169 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -0.3049 0.1549 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9149 0.3782 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 -1.5018 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -0.3236 1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 0.7219 -0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7437 1.6111 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 -0.6929 1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 0.3527 -0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -0.3548 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 2.7640 -1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4532 -0.3380 -1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.4142 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4003 -0.6413 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 -0.1650 1.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 1.1073 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.6018 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 1.2651 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -1.2455 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 0.6457 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -1.8743 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 3.4684 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 2.3885 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 3.2893 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 -2.6868 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9565 -0.8169 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5031 0.7509 -1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4847 -0.7050 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 4 13 2 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$