B25PQC -OEChem-04042101593D 37 39 0 0 0 0 0 0 0999 V2000 -5.1741 0.7671 0.3165 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8483 2.1506 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3431 0.1420 -0.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 -0.3141 0.0327 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4374 -0.9621 0.3582 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 -0.1725 0.3578 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9016 1.1887 -0.2579 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 -2.4270 -0.5275 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 -0.0004 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4203 -0.5335 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.9957 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 -0.8006 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -0.2369 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5059 0.2944 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 1.3772 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.8478 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3596 -0.0201 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6711 -1.8749 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 -1.5914 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3714 0.6892 2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 -1.4447 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6540 0.9254 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 -1.8283 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3618 1.3487 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 2.0335 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 2.8680 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -2.5866 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9082 -2.0732 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2339 1.3014 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5442 -0.3483 2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 1.0820 2.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2187 -1.5035 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7605 -2.3045 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3349 -1.5278 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7509 1.1103 -0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3169 1.8442 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6459 0.6883 0.5204 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 13 1 0 0 0 0 1 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$