BR89XZ -OEChem-04012114523D 62 65 0 1 0 0 0 0 0999 V2000 4.2599 -2.0942 1.2939 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4347 -1.2641 1.4817 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6467 -2.7592 2.4282 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 2.0569 -0.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0315 -1.3929 -1.3039 N 0 0 2 0 0 0 0 0 0 0 0 0 3.0655 -1.2027 0.4342 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.2428 0.9690 0.7317 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8438 -1.9147 -0.0001 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6756 -0.9382 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 -2.4831 -1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -1.7183 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 -0.3942 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -0.2166 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0382 -0.0688 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1687 -0.8789 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1117 1.0601 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 1.1263 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 -0.2051 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -3.3487 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 2.1978 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6357 -2.1246 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 -0.7168 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8219 -2.6488 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5386 -1.9540 0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8883 0.0000 2.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 2.9858 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 2.5086 1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4801 3.3317 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1328 4.0847 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2437 3.6075 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4828 4.3955 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5969 -2.7166 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 -1.0207 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 0.1065 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 -3.5446 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 -2.4263 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -0.8268 -2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 -2.3482 -3.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 -0.7827 -2.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 0.5108 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 -0.0480 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4634 -0.5621 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 1.4983 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 1.0423 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4948 -3.9379 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 -4.0060 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 -2.8827 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 1.6641 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -2.6794 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1866 -3.6091 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4568 -2.3892 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9777 -0.6205 2.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4325 0.9483 2.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8928 0.2188 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 2.7668 -2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 1.9030 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8305 4.0083 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2524 3.2632 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 3.7381 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 4.6993 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 3.8483 2.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1489 5.2506 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 4 17 1 0 0 0 0 4 28 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 2 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 M END $$$$