Marvin 05161110562D 22 22 0 0 0 0 999 V2000 10.5532 -9.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 -10.4489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6762 -10.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 -9.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3156 -8.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 -10.9339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 -11.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 -13.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8551 -12.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8551 -12.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 -12.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 -12.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8081 -10.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6050 -10.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9657 -8.9499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7908 -8.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5532 -8.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 -8.2354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7835 -8.2506 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4768 -7.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1788 -7.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6724 -9.2761 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6 13 1 0 0 0 0 6 2 1 0 0 0 0 13 1 1 0 0 0 0 1 4 2 0 0 0 0 4 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 10 7 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 20 18 2 0 0 0 0 21 18 2 0 0 0 0 M CHG 2 19 -1 22 1 M END