ATOM 18
1 C1z C 27.4983 -20.4446
2 C1y C 26.2811 -19.8216
3 C1y C 27.5274 -21.7550
4 C1y C 28.6455 -19.8216
5 C1x C 27.4807 -19.0702
6 C1y C 26.2168 -18.4529
7 C1x C 25.3144 -20.7824
8 C5x C 25.9258 -21.9938
9 C1x C 28.5815 -22.4422
10 C1x C 28.6513 -18.4529
11 C7x C 29.7695 -20.5088
12 C1z C 26.2811 -17.0902
13 C1x C 27.4750 -17.7716
14 O5x O 25.3085 -23.2167
15 O7x O 29.7288 -21.8190
16 O6a O 30.9692 -19.8506
17 C1a C 26.9566 -15.9079
18 C1a C 25.3085 -16.1177
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 8 14 2
14 9 15 1
15 11 16 2
16 12 17 1
17 12 18 1
18 6 12 1 #Up
19 7 8 1
20 10 13 1
21 11 15 1
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