L3E1QS -OEChem-05022322132D 39 41 0 0 0 0 0 0 0999 V2000 4.6660 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 1.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 2.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0331 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9592 0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 0.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0331 1.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 2 35 1 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 13 2 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$