B49PDB -OEChem-04012119212D 55 58 0 0 0 0 0 0 0999 V2000 8.6097 2.6083 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4188 3.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1975 1.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 3.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.7158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.3253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -2.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -3.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -3.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 -3.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3323 2.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1920 1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 3.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -0.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -0.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 0.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -2.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 -1.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 -4.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 -3.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9856 2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7783 2.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7493 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0211 2.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4457 -4.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5057 2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6429 3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7769 3.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2782 0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1443 0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2814 1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 16 1 0 0 0 0 8 14 2 0 0 0 0 8 24 1 0 0 0 0 9 21 1 0 0 0 0 9 24 2 0 0 0 0 10 21 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$