BVDZ27 -OEChem-04022105073D 43 45 0 0 0 0 0 0 0999 V2000 2.6958 -2.4082 0.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 -0.3155 2.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 3.2004 -1.8316 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9136 3.7168 0.2786 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 -1.6942 1.3036 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6082 -2.2115 -0.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -0.8989 -0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -0.6829 0.7134 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 2.8898 -0.6195 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2980 -1.5696 0.2249 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7073 -3.0833 -1.9458 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 1.1081 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 -0.2340 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 -1.4920 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 0.1921 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.5424 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7554 -0.3526 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.9811 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -1.1008 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9598 -0.4660 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 1.5215 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -0.6692 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4241 0.6539 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 -0.8981 -1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3699 0.1974 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5662 -0.1765 -1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3864 1.1503 1.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5826 0.7766 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9927 1.4399 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -2.1169 -1.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8779 -1.9610 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 -2.3012 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0662 3.0275 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1684 2.1915 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 0.9920 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 -0.0215 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9078 -0.8156 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9095 -0.0194 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2652 -0.6909 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7063 1.6664 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0563 1.0006 -2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7846 2.1815 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 -2.9078 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 43 1 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 10 22 1 0 0 0 0 11 30 3 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 23 2 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 24 30 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 4 3 -1 5 -1 9 1 10 1 M END $$$$