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PM7 S(OH)2 H=-67.0 HR=WHSMC03 S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.69081920 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.69085849 +1 95.4472431 +1 0.0000000 +0 1 2 0 H 0.97247299 +1 109.3699515 +1 180.0000001 +1 2 1 3 H 0.97249511 +1 109.3588396 +1 179.9999999 +1 3 1 2