L2PUD3 -OEChem-05022323443D 42 45 0 0 0 0 0 0 0999 V2000 -4.4305 -0.1165 0.9107 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7031 -1.2467 1.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 0.4665 0.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 0.6128 -0.8244 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0644 -0.4807 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0837 2.7163 -0.3344 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 0.9432 1.1224 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -1.5073 0.9801 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.5236 -1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -0.0524 -2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 -1.5374 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 0.5270 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8566 -0.9331 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 -1.2730 -2.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 0.5627 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 1.9509 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 1.8432 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4215 -0.5033 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7332 1.1758 1.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -0.2739 0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 2.0059 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 -1.8757 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3307 -2.4807 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -0.9073 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 0.6916 -2.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 -1.9017 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -2.4173 -0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6443 0.7565 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 1.4517 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 -0.0971 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -1.7001 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2255 -0.8754 -3.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 -2.3406 -2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 -1.1489 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.3447 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 1.5586 2.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 0.7785 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 1.9898 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 2.9828 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4751 -2.4712 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0508 -1.6845 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -3.5206 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 20 2 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$