ATOM 20
1 C1z C 24.0290 -13.1833
2 C1z C 23.7066 -14.5322
3 C1y C 22.8304 -12.4580
4 C1y C 25.2940 -12.5785
5 O1a O 23.5880 -12.0349
6 C1y C 24.5713 -15.6309
7 C5x C 22.3215 -14.6602
8 C1a C 23.0045 -15.7266
9 C1x C 21.7854 -13.3705
10 O2x O 23.2748 -11.1078
11 C1x C 24.8702 -11.1491
12 C1x C 26.5498 -13.1949
13 C1y C 25.9771 -15.6370
14 O7x O 24.1224 -16.9711
15 O5x O 21.6091 -15.8417
16 C1x C 26.8478 -14.5480
17 C2y C 26.4045 -16.9850
18 C7x C 25.2611 -17.8102
19 C2a C 27.7294 -17.4252
20 O6a O 25.2507 -19.1999
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 4 11 1
11 4 12 1
12 6 13 1
13 6 14 1
14 7 15 2
15 12 16 1
16 13 17 1
17 14 18 1
18 17 19 2
19 18 20 2
20 7 9 1
21 10 11 1
22 13 16 1
23 17 18 1
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