B7GVJ1 -OEChem-04022115343D 27 28 0 0 0 0 0 0 0999 V2000 -2.2048 -2.0438 -0.5133 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.3029 0.0175 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 -1.1410 0.4920 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 2.1591 -0.3225 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0976 0.3355 0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 -0.3402 -0.2296 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 0.3003 0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 -0.2020 0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 0.1394 -0.7367 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 0.9956 0.1085 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9489 0.8773 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4419 0.7764 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2118 2.0209 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 -0.5590 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -1.4160 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -0.9923 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9374 0.4357 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 0.9570 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 1.7233 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 1.0675 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8631 -0.0934 0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5957 0.6042 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8256 -1.0712 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8421 2.9052 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2754 1.9052 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1134 2.1969 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 1.9363 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 17 18 2 0 0 0 0 18 27 1 0 0 0 0 M CHG 2 4 -1 10 1 M END $$$$