LJ12KD -OEChem-05022321283D 28 30 0 0 0 0 0 0 0999 V2000 -0.2124 -2.8317 0.6673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -1.5819 -1.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 1.1090 0.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 -0.4789 0.1956 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 -1.7244 0.4285 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 0.3682 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.4104 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9855 -0.0829 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8516 -1.8124 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 1.6975 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9225 0.0895 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -0.6428 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 0.8773 1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 2.2323 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0452 1.4385 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 -0.2424 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.2777 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6572 0.7179 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -2.4898 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 2.3238 -0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -0.5351 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 1.3184 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 3.2784 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0316 1.8798 -0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8851 -0.6778 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 2.0250 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 -1.8521 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 0.6209 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 18 1 0 0 0 0 3 28 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$