L2Q4PY -OEChem-05022322103D 33 35 0 0 0 0 0 0 0999 V2000 5.5948 -0.6137 -0.1257 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 1.5586 0.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4956 -1.8734 -0.8476 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5237 0.4108 -0.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -1.8684 -0.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3436 -0.6868 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8109 0.3905 0.0111 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.9431 1.5222 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 -0.1467 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9976 0.0924 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 1.2277 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -0.7404 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 1.4764 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 2.0845 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 0.3610 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 -0.3365 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -0.6865 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0911 -1.2806 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 0.9370 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4449 -0.9513 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 1.2664 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8725 0.3222 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 -1.8144 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 2.1123 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 3.1534 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 1.3230 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 -1.9261 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5996 -0.3642 2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 -2.2766 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9118 1.6909 -0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -1.6860 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2811 2.2553 -0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9267 0.5782 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 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 33 1 0 0 0 0 M END $$$$