L4W5KD -OEChem-05032300552D 58 63 0 1 0 0 0 0 0999 V2000 2.9522 -2.2923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 -1.1681 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 -1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 -4.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4981 4.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5228 3.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6563 -2.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1832 2.4144 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3040 -1.5236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6851 -3.2830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2896 -1.1284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2080 1.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2946 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9796 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 -1.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6706 -1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5141 3.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8742 1.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8961 1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2269 1.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1614 2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2886 -1.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5895 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2049 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5723 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0001 2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8753 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7060 3.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5447 2.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 -2.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0683 -4.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 -3.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -3.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -3.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -0.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -1.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0399 3.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2819 3.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8959 0.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4882 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5143 3.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 3.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0097 -0.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7953 2.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2684 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2910 -1.5363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8813 -1.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0982 -3.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 -0.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7976 0.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7472 0.6846 0.0000 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 15 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 26 1 0 0 0 0 5 30 2 0 0 0 0 6 33 2 0 0 0 0 7 35 2 0 0 0 0 8 37 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 36 2 0 0 0 0 11 30 1 0 0 0 0 11 36 1 0 0 0 0 11 55 1 0 0 0 0 12 34 1 0 0 0 0 12 37 1 0 0 0 0 12 56 1 0 0 0 0 13 31 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 25 33 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 32 2 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 29 34 1 0 0 0 0 31 35 1 0 0 0 0 32 52 1 0 0 0 0 33 35 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 36 37 1 0 0 0 0 M END $$$$