B90XAK -OEChem-04042106083D 57 61 0 1 0 0 0 0 0999 V2000 4.6857 -0.4332 -1.2459 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3693 -1.6472 2.1989 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9874 0.0175 -2.7537 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -0.8267 -0.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 -1.3669 -1.8222 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -0.0953 -2.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 0.9621 0.6060 N 0 0 1 0 0 0 0 0 0 0 0 0 3.9625 0.9538 -0.6572 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 2.1535 -0.5026 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0864 2.0604 1.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 0.8015 0.1756 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3477 -1.2843 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 1.6210 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 0.1172 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 -2.5304 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3786 -0.4639 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 1.0102 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 2.4012 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 1.3610 0.6874 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4145 2.2724 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9513 -2.8392 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1874 -1.4950 1.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2155 -0.6711 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5006 -0.1573 0.6671 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6167 2.9544 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8931 -0.4992 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7591 -1.2359 0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3079 -0.0759 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5889 -0.3891 -1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0402 -1.5493 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4550 -1.1259 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9376 1.1612 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -1.5510 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 1.3519 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 2.6956 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 -0.0931 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.8111 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 -3.3631 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -2.3438 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0461 0.0807 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 0.2744 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 2.8485 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4654 2.9949 -0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 1.7888 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8902 -3.3412 0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3929 -3.5039 1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8495 -1.5441 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -1.2307 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 -1.2776 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0929 -1.1054 1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3604 -0.5674 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 3.9857 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 1.9683 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8778 3.0580 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6455 0.4887 -1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7142 -2.1229 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4522 -1.3696 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 25 2 0 0 0 0 10 19 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 21 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 22 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END $$$$