ATOM 18
1 C1y C 23.4455 -14.4495
2 C1y C 24.6569 -15.1660
3 C1z C 22.2515 -15.1484
4 O2x O 23.4571 -15.8300
5 C1y C 25.8742 -14.4612
6 O7x O 24.9423 -16.5406
7 C1x C 21.0285 -14.4495
8 C1a C 21.0285 -15.8357
9 C2y C 26.9225 -15.4047
10 C1x C 25.8801 -13.0576
11 C7x C 26.3459 -16.6861
12 C1x C 21.0285 -13.0459
13 C2a C 28.2913 -15.1135
14 C1x C 24.6685 -12.3586
15 O6a O 27.0448 -17.9034
16 C2x C 22.2457 -12.3527
17 C2y C 23.4512 -13.0459
18 C1a C 24.3069 -13.8906
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Up
8 5 9 1 #Up
9 5 10 1
10 6 11 1
11 7 12 1
12 9 13 2
13 10 14 1
14 11 15 2
15 12 16 1
16 14 17 1
17 17 18 1
18 3 4 1 #Down
19 9 11 1
20 16 17 2
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