BNQE49 -OEChem-04012113123D 49 53 0 1 0 0 0 0 0999 V2000 0.9688 -1.4233 2.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.2794 -1.2215 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9443 -2.0275 0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5412 0.8942 0.1879 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 0.3063 0.1468 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3113 -1.7715 -0.5424 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 1.6313 0.0981 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 -1.7576 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1494 -3.3479 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -4.0699 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -2.9271 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -0.5520 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 -1.2411 1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -0.1928 0.0167 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7871 0.7343 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8529 -2.9462 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5074 -0.5677 -1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2138 -1.7580 -1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.9323 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 1.7711 0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1318 3.1973 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 -0.2895 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1316 0.3554 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8028 2.8933 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 4.3195 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 4.1676 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 -0.3821 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1635 1.7218 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 0.2996 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 2.3095 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 -3.1856 2.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 -3.8904 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9169 -4.6048 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -4.7636 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 -0.6522 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4118 -3.8588 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 0.3328 -1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0611 -1.7481 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8841 1.0753 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4173 0.8039 0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 3.3403 -0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8394 2.7764 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 5.3116 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 5.0415 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2821 2.3527 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4477 -0.2155 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4924 3.3776 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1897 -2.2731 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.2799 -0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 22 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 5 39 1 0 0 0 0 6 27 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 29 2 0 0 0 0 7 30 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$