B31FTP -OEChem-04042102263D 29 29 0 0 0 0 0 0 0999 V2000 0.5779 1.7330 -0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8987 0.8063 -1.5328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -0.3176 1.3035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 -0.8440 -0.9085 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5117 0.1509 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 0.8484 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 -1.3531 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 0.5467 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1422 -1.6597 -0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 -0.9548 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 0.8111 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 0.2623 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9885 0.2809 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3021 -0.3104 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3074 0.2834 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 0.5108 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 1.9338 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -1.8468 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 -1.8154 1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 0.9982 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 1.0022 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 -1.3462 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -2.7419 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -1.1369 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 -1.3827 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 -0.2029 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 0.8684 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9193 -1.2674 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6539 -0.8801 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 1 0 0 0 0 2 27 1 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$