B58TKJ -OEChem-04042107273D 30 31 0 1 0 0 0 0 0999 V2000 2.1526 0.6963 -1.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8979 0.9507 -0.2505 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 1.6760 0.3266 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.7245 0.4087 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 0.0163 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 -0.7253 1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.5472 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 0.5154 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0876 1.3846 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -0.9865 -0.0478 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4560 -1.8633 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 0.3268 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7114 3.0169 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -2.0671 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 -0.9874 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 0.3183 -0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -0.1630 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -1.6834 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 2.1693 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 -1.5717 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 -2.7163 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 1.1630 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 3.1102 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 3.7429 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 3.1758 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -3.0801 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 -1.1687 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 -1.9658 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -2.6087 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 1.5355 -2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$