D05PNI -OEChem-10101305032D 49 51 0 1 0 0 0 0 0999 V2000 6.8909 -1.9604 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -2.6649 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -1.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 2.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -2.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -1.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -2.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -2.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -3.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -1.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.0919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.5919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.4469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 0.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 -0.4469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 1.0919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0555 -3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 -4.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 -3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2366 -5.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -4.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2311 -4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 0.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -1.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -1.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -1.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 3.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -0.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -4.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0322 -4.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 -2.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 -5.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2544 -4.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5955 -5.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 17 4 1 1 0 0 0 4 38 1 0 0 0 0 18 5 1 1 0 0 0 5 39 1 0 0 0 0 6 21 1 0 0 0 0 7 22 2 0 0 0 0 9 43 1 0 0 0 0 11 25 2 0 0 0 0 12 26 1 0 0 0 0 13 44 1 0 0 0 0 20 15 1 6 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 6 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$