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*
* -23.087
*
SYMMETRY PM7
Propane
D=0.08 I=11.5 HR=C&P1970 H=-24.83,0.14 IR=MS1972 DR=NLM1967 S=64.60 CP=17.59
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 5.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0
XX 5.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
C 1.52935199 +1 55.6102338 +1 0.0000000 +0 1 2 3
C 1.52935199 +0 55.6102338 +0 180.0000000 +0 1 2 3
XX 5.00000000 +0 128.0690820 +1 0.0000000 +0 5 1 2
XX 5.00000000 +0 128.0690820 +0 0.0000000 +0 4 1 2
H 1.10670012 +1 127.1022110 +1 90.0000000 +0 1 2 3
H 1.10670012 +0 127.1022110 +0 -90.0000000 +0 1 2 3
H 1.09534441 +1 111.2971548 +1 180.0000000 +0 4 1 2
H 1.09534441 +0 111.2971548 +0 180.0000000 +0 5 1 2
H 1.09525991 +1 53.7230541 +1 90.0000000 +0 4 7 1
H 1.09525991 +0 53.7230541 +0 -90.0000000 +0 4 7 1
H 1.09525991 +0 53.7230541 +0 -90.0000000 +0 5 6 1
H 1.09525991 +0 53.7230541 +0 90.0000000 +0 5 6 1
4 1 5
4 2 5
6 2 7
8 1 9
8 2 9
10 1 11
10 2 11
12 1 13 14 15
12 2 13 14 15
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