ATOM 17
1 C2y C 27.3222 -20.3121
2 C1y C 26.9075 -18.9859
3 C1y C 28.6310 -20.8147
4 C2y C 26.1770 -21.1302
5 C1x C 25.5052 -18.9683
6 C1y C 27.6845 -17.8173
7 C1y C 29.8404 -20.1076
8 O1a O 28.6720 -22.2110
9 C5x C 25.0553 -20.2947
10 C1a C 26.1713 -22.5265
11 C1x C 29.0808 -17.7004
12 C1a C 26.9776 -16.6138
13 C1x C 30.0333 -18.7170
14 C2c C 30.9974 -20.8846
15 O5x O 23.7232 -20.7152
16 C1a C 30.9796 -22.2811
17 C2a C 32.2534 -20.2653
BOND 18
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 4 10 1
10 6 11 1
11 6 12 1 #Up
12 7 13 1
13 7 14 1 #Up
14 9 15 2
15 14 16 1
16 14 17 2
17 5 9 1
18 11 13 1
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