L97PUR -OEChem-05022321473D 30 30 0 1 0 0 0 0 0999 V2000 4.1485 -0.7791 -0.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -1.3309 -1.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 -1.1250 0.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 1.5947 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 0.3798 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 0.8022 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 0.7513 -0.2667 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6944 -0.9559 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2298 1.3334 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9813 -1.3467 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 0.9425 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 -0.3975 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 -1.9924 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8529 2.7745 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 -0.6510 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 0.2551 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 1.8271 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6211 1.1156 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -2.3919 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2353 1.6741 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 -2.6625 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 -2.6076 1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 -1.6460 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 3.3532 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 2.9070 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 3.2163 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 2.5609 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 1.3217 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 -1.7393 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -2.2289 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 15 1 0 0 0 0 2 30 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$