B3I4WF -OEChem-04022106293D 75 80 0 0 0 0 0 0 0999 V2000 -2.8237 -1.7579 1.8829 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8735 0.1076 -1.3518 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 1.8289 1.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4885 -1.6878 -1.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1502 0.2244 0.3182 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7118 -1.1829 0.3743 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4378 -0.8591 0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2298 -1.0122 -0.4406 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 0.0936 0.2875 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 0.8103 -1.7865 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 0.9506 -1.6574 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8252 1.3501 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3377 0.4409 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1099 1.4843 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7905 0.8836 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7453 0.1332 0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0989 -1.0688 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6757 -0.5741 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1585 -0.4333 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -0.3390 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 -0.7843 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 -0.8183 0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 -0.2576 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1647 -0.1942 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 -0.5814 0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 1.0722 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5564 1.0883 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 0.4682 -1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -1.5936 1.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 -0.1244 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 0.3597 -1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 0.5184 1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 -0.6720 -0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 -1.4543 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 0.7473 1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7200 -0.6463 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 -2.4495 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 -1.2252 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9705 2.0643 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6857 0.3550 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3189 1.6900 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2825 3.0455 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2404 2.2755 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0304 1.1577 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1845 -0.4642 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6834 1.2341 -1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9250 0.9223 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4254 2.5294 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4485 0.0276 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9401 1.6084 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2010 1.0503 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6587 0.0184 1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5895 -1.9978 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1504 -1.0089 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4738 -1.7229 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 -1.4431 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9291 1.9650 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5426 -2.0771 2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8578 0.7047 -1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 1.2034 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0637 -2.3156 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0231 -1.6796 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4653 -2.8757 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 -2.6615 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1711 -2.8864 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 0.9028 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -1.9501 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6987 3.1087 0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7390 0.0871 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0878 2.4510 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 1.5292 -2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3922 0.7502 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 3.8019 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 2.9164 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 3.3916 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 29 1 0 0 0 0 2 18 2 0 0 0 0 3 35 1 0 0 0 0 3 42 1 0 0 0 0 4 33 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 55 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 56 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 37 1 0 0 0 0 9 30 1 0 0 0 0 9 33 1 0 0 0 0 9 66 1 0 0 0 0 10 28 2 0 0 0 0 10 31 1 0 0 0 0 11 28 1 0 0 0 0 11 71 1 0 0 0 0 11 72 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 19 21 1 0 0 0 0 19 31 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 25 1 0 0 0 0 22 29 2 0 0 0 0 23 26 1 0 0 0 0 23 36 2 0 0 0 0 24 27 2 0 0 0 0 24 33 1 0 0 0 0 25 32 2 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 39 2 0 0 0 0 27 57 1 0 0 0 0 29 58 1 0 0 0 0 30 35 2 0 0 0 0 30 38 1 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 60 1 0 0 0 0 34 38 2 0 0 0 0 34 61 1 0 0 0 0 36 40 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 67 1 0 0 0 0 39 41 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 M END $$$$