Coordinates from ORCA-job AR398-2_1 corina 05162309123D 1 1.00000 0.00000 CORINA 4.4.0 0026 12.08.2021 45 48 0 0 0 0 0 0 0 0999 V2000 -1.0325 -0.6520 0.0089 O 0 8.0079 -4.5584 -0.1024 N 0 1.3538 -1.9970 -0.0213 O 0 0.4974 -2.4462 -0.0152 H 0 2.3665 1.4762 -0.0121 O 0 3.9034 -1.8711 -0.0459 O 0 -0.0179 1.4714 0.0101 C 0 5.9309 -0.9547 -0.0610 C 0 1.2666 -0.6392 -0.0135 C 0 1.2043 2.1616 0.0022 C 0 0.0021 -0.0041 0.0020 C 0 -1.2211 2.1768 0.0197 C 0 -2.1618 1.6463 0.0216 H 0 0.0053 4.2372 0.0247 C 0 0.0085 5.3172 0.0304 H 0 1.2011 3.5516 0.0096 C 0 2.1350 4.0940 0.0039 H 0 5.2182 -2.1693 -0.0608 C 0 2.4092 0.1321 -0.0203 C 0 4.9180 0.0994 -0.0499 C 0 5.0903 1.1655 -0.0505 H 0 -1.2022 3.5542 0.0330 C 0 -2.1313 4.1046 0.0452 H 0 3.7139 -0.5349 -0.0364 C 0 7.3289 -0.9592 -0.0750 C 0 7.8736 -0.0266 -0.0747 H 0 5.9194 -3.3666 -0.0751 C 0 8.0033 -2.1456 -0.0885 C 0 9.4728 -4.5518 -0.1170 C 0 9.9972 -4.5578 1.3203 C 0 9.6351 -3.6724 1.8429 H 0 9.6430 -5.4523 1.8326 H 0 11.0872 -4.5529 1.3095 H 0 7.0137 -6.2649 -1.5448 C 0 7.2811 -5.8304 -0.1024 C 0 9.8350 -5.4372 -0.6396 H 0 9.8271 -3.6573 -0.6293 H 0 7.8787 -6.5903 0.4011 H 0 6.3333 -5.7073 0.4216 H 0 6.4729 -7.2113 -1.5449 H 0 6.4161 -5.5050 -2.0484 H 0 7.9615 -6.3880 -2.0689 H 0 7.3051 -3.3535 -0.0885 C 0 9.0833 -2.1495 -0.0990 H 0 5.3867 -4.3061 -0.0747 H 0 1 11 2 2 29 1 2 35 1 2 43 1 3 4 1 3 9 1 5 10 1 5 19 1 6 18 1 6 24 1 7 10 4 7 11 1 7 12 4 8 18 4 8 20 1 8 25 4 9 11 1 9 19 2 10 16 4 12 13 1 12 22 4 14 15 1 14 16 4 14 22 4 16 17 1 18 27 4 19 24 1 20 21 1 20 24 2 22 23 1 25 26 1 25 28 4 27 43 4 27 45 1 28 43 4 28 44 1 29 30 1 29 36 1 29 37 1 30 31 1 30 32 1 30 33 1 34 35 1 34 40 1 34 41 1 34 42 1 35 38 1 35 39 1 M END $$$$