BS4D6J -OEChem-04022102233D 28 28 0 0 0 0 0 0 0999 V2000 -2.9838 -2.0341 0.7996 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5759 -0.0528 0.0181 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 0.3806 -0.1686 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.0715 0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 1.3536 -0.4807 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 0.0564 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 0.2725 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 1.2970 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 -1.0763 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 1.4051 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -0.9682 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 0.8471 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -1.0755 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 -0.4768 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 2.2002 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -2.0566 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2913 2.3783 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 -1.8640 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 1.8162 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 0.4422 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8856 1.0010 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3193 -0.8315 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -1.1715 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -2.0443 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 1.3386 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1547 -0.4655 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0456 1.8612 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1118 1.2751 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END $$$$