LEMG78 -OEChem-05022322383D 29 31 0 0 0 0 0 0 0999 V2000 -0.4598 3.6676 -0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 2.3738 -0.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 1.5019 -0.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -1.3164 0.5357 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 -1.9675 -0.6063 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 -0.6934 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 0.2731 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 -0.0018 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 1.3461 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 -0.0535 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 -0.6386 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 -2.0532 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 -1.4086 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -2.3948 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 0.9759 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -0.5075 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0806 2.4466 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 -1.5497 -0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 2.3921 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4202 -2.8375 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 -1.7079 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 -3.4419 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8629 0.8423 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 0.8820 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 1.9967 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 0.0727 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -1.9292 -1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 -1.4713 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1089 4.4028 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 29 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$