1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34
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*
* 37.114
*
SYMMETRY PM7
Styrene
H=35.3,0.25 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.80290577 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 1 2 3
C 1.39373144 +1 59.8643458 +1 0.0000000 +0 1 2 3
C 1.39373144 +0 59.8643458 +0 180.0000000 +0 1 2 3
C 1.40043022 +1 59.4838104 +1 0.0000000 +0 2 1 4
C 1.40043022 +0 59.4838104 +0 180.0000000 +0 2 1 4
H 1.08757111 +1 90.0000000 +0 180.0000000 +0 1 4 2
H 1.08835808 +1 119.9451545 +1 180.0000000 +0 5 1 2
H 1.08835808 +0 119.9451545 +0 180.0000000 +0 6 1 2
H 1.08855542 +1 119.9403699 +1 180.0000000 +0 7 2 1
H 1.08855542 +0 119.9403699 +0 180.0000000 +0 8 2 1
C 1.46259752 +1 91.6672956 +1 179.9934000 +1 2 3 1
C 1.33613648 +1 125.1502412 +1 0.6661562 +1 14 2 3
H 1.09508115 +1 114.7454108 +1 -179.3613999 +1 14 2 3
H 1.07960797 +1 123.0359792 +1 179.9908531 +1 15 14 2
H 1.07844072 +1 124.3998612 +1 0.0097702 +1 15 14 2
5 1 6
5 2 6
7 1 8
7 2 8
10 1 11
10 2 11
12 1 13
12 2 13
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