B86UHF -OEChem-04022101303D 35 38 0 0 0 0 0 0 0999 V2000 -2.3266 -2.3511 0.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 3.3394 -0.0518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2701 -2.3589 0.0863 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 1.5233 0.0611 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 -0.0521 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 1.1883 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 -0.0249 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 1.3039 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5685 0.4639 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 2.1272 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 -0.8856 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -1.2051 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -1.0311 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 2.8854 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 1.6946 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 0.6806 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 -1.9516 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9901 -0.6686 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3753 0.6833 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 -0.3848 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4063 -1.6970 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 -3.2792 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 2.9972 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 3.6345 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 3.1552 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7048 2.7386 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3784 1.6829 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -2.9842 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8111 -1.3779 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4306 0.9416 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 -0.1841 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -2.5208 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 -4.2828 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 -3.2094 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 -3.1874 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 10 2 0 0 0 0 3 12 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 13 18 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$