ATOM 19
1 C1c C 27.8430 -16.8537
2 S2a S 27.8430 -18.1787
3 C8y C 26.6966 -16.1912
4 C7a C 28.9894 -16.1912
5 P1a P 27.8836 -19.6015
6 O7a O 30.1360 -16.8537
7 O6a O 28.9894 -14.8604
8 O2b O 29.2200 -19.6015
9 O2b O 27.8836 -21.1397
10 S0 S 26.2072 -19.6015
11 C1b C 31.2880 -16.1912
12 C1a C 30.2225 -18.4610
13 C1a C 29.2144 -21.9002
14 C1a C 32.4344 -16.8537
15 C8x C 26.6970 -14.8149
16 C8x C 25.4976 -14.1221
17 C8x C 24.2979 -14.8143
18 C8x C 24.2975 -16.1907
19 C8x C 25.4969 -16.8835
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 4 6 1
6 4 7 2
7 5 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 8 12 1
12 9 13 1
13 11 14 1
14 3 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 3 19 1
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