NIST 24032900452D 1 1.00000 0.00000 NIST Chemistry WebBook 12 12 0 0 0 3 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.7071 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 1.6730 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 2.3801 1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 3.3461 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 5.5191 2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 4.0532 1.6037 0.0000 C 0 0 0 1 0 0 0 0 0 4.5532 2.4697 0.0000 C 0 0 0 1 0 0 0 0 0 5.7779 1.2450 0.0000 O 0 0 0 0 0 0 0 0 0 3.5532 2.4697 0.0000 O 0 0 0 0 0 0 0 0 0 4.7603 0.8966 0.0000 H 1 0 0 0 0 0 0 0 0 4.8120 3.4356 0.0000 H 1 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 6 9 2 0 0 0 7 11 1 0 0 0 8 7 1 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 10 8 1 0 0 0 M ISO 1 11 2 M ISO 1 12 2 M END