LHS4Z3 -OEChem-05032301253D 67 70 0 0 0 0 0 0 0999 V2000 -4.2802 -0.1917 3.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 0.5139 -0.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -2.0665 -1.7357 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2597 -0.8019 0.3846 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 0.0560 0.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -0.1603 -0.0496 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1772 0.5961 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9096 -0.3881 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 2.0210 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5652 -0.2719 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1788 2.5767 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 -0.7973 2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4296 0.7572 -2.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 2.2146 -2.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5839 -0.2787 2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8731 -0.6455 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2371 0.0913 2.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 -2.2564 2.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.0105 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -0.0664 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4074 -2.3051 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6364 -0.4169 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 -2.6555 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 -1.7115 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 1.0769 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 1.4810 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 -3.4095 -2.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 0.5224 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8529 2.8324 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 0.9151 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 3.2253 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1945 2.2666 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 -1.7125 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7855 0.6689 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9923 -0.2629 -0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 -1.4132 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0866 2.1041 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 2.6747 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7661 -1.2464 -2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5032 -0.0674 -2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 3.6714 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1321 2.2712 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4892 0.5558 -2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2958 0.6185 -3.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8492 2.8397 -2.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1388 2.4784 -2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 0.1023 3.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2549 1.1281 2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.2540 2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 -2.3740 3.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -2.6544 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 -2.8853 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2574 0.9452 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 -3.0481 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8924 -3.6783 -1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0216 0.3637 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 1.9450 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -3.5160 -2.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4301 -3.6207 -3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -4.1296 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 3.5910 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 0.2284 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 4.2774 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2288 2.5738 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9425 -2.7189 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 -1.5491 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6948 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 16 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END $$$$