ATOM 17
1 C1y C 26.3239 -20.7940
2 C1y C 27.7242 -20.7940
3 C1y C 28.6343 -21.8441
4 C1x C 28.3543 -23.2444
5 C1y C 25.4838 -21.9141
6 C1x C 27.0941 -23.8745
7 C2y C 25.8338 -23.2444
8 C2y C 29.8945 -21.3541
9 C7x C 29.8945 -19.9538
10 O7x O 28.4943 -19.6038
11 C2y C 25.5538 -19.6038
12 C2x C 24.1536 -20.0238
13 C1x C 24.1536 -21.4241
14 C1a C 25.5538 -18.2035
15 C2a C 24.7137 -24.1545
16 C2a C 31.0847 -22.1242
17 O6a O 31.0147 -19.1137
BOND 19
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 1
9 8 9 1
10 9 10 1
11 2 10 1
12 1 11 1
13 11 12 2
14 12 13 1
15 5 13 1
16 11 14 1
17 7 15 2
18 8 16 2
19 9 17 2
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