B2U5PI -OEChem-04012112543D 35 37 0 0 0 0 0 0 0999 V2000 -1.4787 2.0619 0.8189 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4096 2.8676 0.1122 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6114 -1.4589 -0.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4463 -1.0884 -0.2989 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.6947 0.4288 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 0.7000 -0.4356 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7238 -1.0656 0.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -3.3202 0.4980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 -0.1913 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 -0.4699 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 1.1384 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 0.6733 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0964 1.6851 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7427 -0.6752 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 -1.9673 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1107 -1.5035 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 -0.3473 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3872 0.0720 -1.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5816 0.2885 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 1.1447 -1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 1.3614 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 1.7894 -0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 -2.0651 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 0.7981 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -2.5085 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 1.0135 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 -2.2043 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 -2.0429 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 -0.4216 -2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3212 -0.0351 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 1.4785 -2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8732 1.8639 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -3.9643 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -3.7209 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 2.6249 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 25 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 15 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 24 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$