NN3 Mrv0541 02241213592D 29 31 0 0 0 0 999 V2000 -0.1515 3.0208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5629 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 3.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -1.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1504 -1.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 1.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 -0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 -1.9612 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 -2.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -3.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 -4.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 -3.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 -3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -2.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 3.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3541 1.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 6 0 0 0 1 10 1 0 0 0 0 1 28 1 1 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 6 11 2 0 0 0 0 12 6 1 6 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END