B5GQC6 -OEChem-04022103022D 49 52 0 0 0 0 0 0 0999 V2000 5.5443 -2.9578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 0.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3043 3.1530 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.6615 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 0.9652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 1.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9937 2.2025 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7905 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 1.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4118 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0582 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 2.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7045 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0217 -0.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 2.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 2.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7896 -0.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3828 0.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9382 2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1805 2.6972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5303 0.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 -0.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9547 2.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5334 0.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5399 3.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1186 0.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -2.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9630 0.0000 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 $$$$