1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
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*
* 4.191
*
SYMMETRY PM7
Propene
D=0.37 HR=C&P1970 I=9.88 H=4.88,0.16 IR=KR1973 DR=NLM1967
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33308790 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.48949102 +1 123.5109676 +1 0.0000000 +0 2 1 0
XX 5.00000000 +0 127.3153704 +1 180.0000000 +0 3 2 1
H 1.09810034 +1 112.8655821 +1 0.0000000 +0 3 2 1
H 1.09998314 +1 53.5840920 +1 90.0000000 +0 3 4 5
H 1.09998314 +0 53.5840920 +0 -90.0000000 +0 3 4 5
H 1.09045022 +1 121.7048817 +1 180.0000000 +0 2 1 3
H 1.07794579 +1 123.3935309 +1 180.0000000 +0 1 2 3
H 1.07748072 +1 123.9811395 +1 0.0000000 +0 1 2 3
6 1 7
6 2 7
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