L1ORN3 -OEChem-05032300243D 80 85 0 0 0 0 0 0 0999 V2000 -6.2961 0.4570 -0.7544 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2877 -1.1234 0.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0459 -0.5946 1.7112 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 1.4463 -1.7753 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7197 -1.7977 -1.7388 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5264 -1.3564 0.1203 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5691 -2.6617 0.3723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6133 2.2952 -0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 0.6926 3.5848 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 0.6866 -0.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 1.8128 2.2443 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8574 -2.8960 -1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8535 -2.4439 -2.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8497 -3.9121 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1605 -3.6173 -1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0284 -0.8606 -2.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8335 -0.2459 -1.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 0.5131 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 -2.5114 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 -0.0462 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 -2.3754 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5854 -0.0417 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 -1.4853 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1955 1.1034 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8244 -0.0124 1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 1.1655 1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6897 0.6384 2.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 0.0534 2.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 -0.3852 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0555 1.7419 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 -0.4998 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3387 2.4350 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -1.6941 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 3.4965 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -2.7356 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9224 1.6235 -0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 0.6496 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 1.4984 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 3.6215 -2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 2.6849 -1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 1.2763 3.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 4.5136 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3541 -1.1085 3.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1489 -2.6071 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3007 -3.3358 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5860 -2.8159 -3.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7124 -1.7725 -2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5117 -4.9384 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9855 -3.7825 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9336 -3.3490 -0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5171 -4.4855 -2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7258 -0.0595 -2.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6921 -1.3414 -3.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 0.4792 -2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0739 -0.9961 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 -2.5500 1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9132 -3.4553 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 0.7965 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0502 0.1408 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3544 -3.1707 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8524 -2.4605 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6852 -0.1116 -1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 0.8900 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9196 1.5086 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1974 -0.3426 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 0.5424 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3347 2.8427 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -1.8616 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7902 -3.6909 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 0.6574 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 -0.0250 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 4.4425 -2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1643 2.8505 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 1.3164 4.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 5.3190 -2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4922 4.9806 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 4.0522 -2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6808 -1.9254 3.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3878 -0.3142 3.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3614 -1.5348 2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 43 1 0 0 0 0 4 37 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 19 1 0 0 0 0 6 20 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 7 35 1 0 0 0 0 8 30 1 0 0 0 0 8 32 1 0 0 0 0 8 67 1 0 0 0 0 9 27 1 0 0 0 0 9 41 2 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 71 1 0 0 0 0 11 30 2 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 22 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 64 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 28 65 1 0 0 0 0 29 31 2 0 0 0 0 29 66 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 38 1 0 0 0 0 33 35 2 0 0 0 0 33 68 1 0 0 0 0 34 39 1 0 0 0 0 34 42 1 0 0 0 0 35 69 1 0 0 0 0 36 38 2 0 0 0 0 36 40 1 0 0 0 0 38 70 1 0 0 0 0 39 40 2 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 M END $$$$