L3R8WE -OEChem-05022323413D 55 57 0 0 0 0 0 0 0999 V2000 -2.3584 4.5239 -0.9981 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3970 4.4145 1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 3.2871 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 -1.6944 -0.2961 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3377 -3.9788 0.3594 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4523 1.2677 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3209 -0.0259 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 4.0620 0.0856 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4865 3.4152 -1.0832 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -2.5731 -1.1976 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 -3.1751 1.1035 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -3.8766 -0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0203 -1.8509 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -2.3339 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 -0.2824 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 -3.3299 -0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 -3.8100 0.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7976 -0.1317 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 1.7374 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 3.1039 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 0.8192 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 1.2673 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 2.6339 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 3.5521 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 -1.0874 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 3.1336 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 -1.8363 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 -1.9107 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -2.4941 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -3.1736 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0414 -1.4373 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7657 -1.3042 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2623 -1.8245 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 -2.2923 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 0.2477 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 0.2160 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4307 -3.4138 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 -3.8547 -1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 -4.3643 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9921 -4.2469 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5428 -4.9723 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 -0.6453 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3541 -0.5845 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2065 1.9444 -0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 -0.2428 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 4.6178 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2195 0.6716 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 -1.4298 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -1.3541 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9045 -1.4273 -2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -2.4965 1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 3.2877 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 3.7593 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4672 -3.9043 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 -4.3437 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 26 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 41 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 44 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 7 47 1 0 0 0 0 8 20 1 0 0 0 0 9 26 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 28 2 0 0 0 0 10 30 1 0 0 0 0 11 29 1 0 0 0 0 11 30 2 0 0 0 0 12 30 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M CHG 2 1 -1 8 1 M END $$$$