Mrv1572004221604492D 31 31 0 0 1 0 999 V2000 2.5600 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 1.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 4.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1603 5.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 5.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8873 4.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 3.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 1.7573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4620 0.6773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5175 3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 1.7573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8977 3.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 -0.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 2.3406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 0.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 3.3511 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7310 0.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1113 2.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 4.0907 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5239 -0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 -0.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 5.8508 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 2.0122 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 3.5646 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -3.0645 4.6741 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -0.3040 3.9344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 0.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 6 3 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 10 7 1 4 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 9 14 1 6 0 0 0 15 1 1 0 0 0 0 15 2 1 0 0 0 0 15 9 1 0 0 0 0 8 16 1 1 0 0 0 16 10 2 0 0 0 0 17 9 1 0 0 0 0 17 11 1 0 0 0 0 17 12 1 0 0 0 0 18 10 1 0 0 0 0 19 11 2 0 0 0 0 20 13 2 0 0 0 0 21 13 1 0 0 0 0 22 14 2 0 0 0 0 23 14 1 0 0 0 0 24 4 1 0 0 0 0 24 5 1 0 0 0 0 25 12 1 0 0 0 0 25 15 1 0 0 0 0 28 7 1 0 0 0 0 8 29 1 6 0 0 0 9 30 1 1 0 0 0 12 31 1 6 0 0 0 M CHG 4 18 -1 21 -1 26 1 27 1 M END