Mrv1909 08172021512D 29 30 0 0 0 0 999 V2000 -0.9571 -0.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1725 -0.3730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0824 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3123 -1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 -1.0405 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 -0.3260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3702 -0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 0.5671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8274 0.9796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2143 0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 2.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 2.2851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 3.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1725 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -1.4530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 -1.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 -2.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 -0.6280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3655 -0.0446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1623 -0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 0.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 -3.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8893 -2.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2633 -1.7075 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 1 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 4 16 2 0 0 0 0 16 17 1 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 1 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 1 27 1 6 0 0 0 20 28 1 1 0 0 0 M CHG 1 29 1 M END