LJC45D -OEChem-05032301102D 36 39 0 1 0 0 0 0 0999 V2000 2.0000 1.6065 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3977 -2.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -0.7520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 2.5190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7102 0.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 2.1635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 -1.5028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0258 -1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 -2.3280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6711 -2.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 1.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 2.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 0.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4295 -1.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6177 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -0.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2236 -2.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 -3.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -2.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3009 -3.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 -3.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7618 -0.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5824 -3.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 3.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 2.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -0.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 10 2 1 6 0 0 0 2 31 1 0 0 0 0 7 3 1 6 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 12 2 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$