B3NSQ6 -OEChem-04012115122D 49 53 0 0 0 0 0 0 0999 V2000 7.7367 3.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 -0.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 -4.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3984 2.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 -0.9031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -2.2629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7293 1.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0894 3.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3766 2.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 4.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -3.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -2.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 -3.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 -1.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -4.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 -3.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3476 2.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 1.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 0.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5858 1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 0.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 -0.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 3.9249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 3.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 1.7025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 1.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9908 4.7544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2328 4.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4274 2.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5931 3.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -0.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 -3.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1826 -4.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 -2.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8093 -4.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 -3.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 19 2 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 6 21 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 22 2 0 0 0 0 15 21 2 0 0 0 0 15 24 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 27 2 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$