B1EVP7 -OEChem-04012117302D 39 42 0 0 0 0 0 0 0999 V2000 4.9889 -2.3213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 5.0766 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.8813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 1.2745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.4203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.9584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.7364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.1984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 2.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 3.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 4.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 1.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 2.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9563 1.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 4.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4596 3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 -0.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 0.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 26 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 2 0 0 0 0 5 12 2 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 33 1 0 0 0 0 7 16 1 0 0 0 0 7 20 2 0 0 0 0 8 16 2 0 0 0 0 8 23 1 0 0 0 0 9 20 1 0 0 0 0 9 23 2 0 0 0 0 10 23 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 21 34 1 0 0 0 0 22 25 2 0 0 0 0 22 35 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$