LDC2H5 -OEChem-05022323462D 42 44 0 1 0 0 0 0 0999 V2000 4.0948 -0.0630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 2.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2615 1.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2615 1.4424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -2.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -0.7212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8595 -2.0576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -1.0576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9313 -1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 -1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 0.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1275 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1275 -1.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 -1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 -2.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -2.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7193 -0.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 0.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -1.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8585 -1.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6644 0.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 -2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 2.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3944 2.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6213 1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 7 14 2 0 0 0 0 8 20 2 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 9 36 1 0 0 0 0 10 29 3 0 0 0 0 12 11 1 6 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 27 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$