B5GQC6 -OEChem-04022117163D 49 52 0 0 0 0 0 0 0999 V2000 -5.6562 -2.8108 0.4285 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4326 2.1944 -0.7222 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5507 1.5830 -0.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5491 -0.4591 0.7310 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3665 -0.5004 -1.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 0.5340 0.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 0.3569 0.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8573 -0.3980 -0.3140 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3716 1.6253 0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -0.0946 -0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 1.1068 1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 -0.6711 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8596 1.0326 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 -0.0983 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6996 0.1678 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 0.4011 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 0.0965 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 0.0513 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -0.5802 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8158 -0.2707 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8668 -0.0910 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 -0.1361 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 -0.2072 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 -1.9132 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6106 -1.4152 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4542 0.9620 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0099 -1.3589 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8421 1.0213 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6099 -0.1283 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4321 2.4052 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9719 2.0935 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -0.9190 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 0.6309 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 1.9702 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.4624 2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 -1.5124 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -1.0694 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1337 1.7631 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 1.5670 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 -0.5663 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -0.8568 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 0.1688 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6912 0.1188 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 -0.1447 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0891 -0.2194 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2735 -2.4252 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8931 1.8856 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6189 -2.2536 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6883 -0.0722 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 28 1 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$