ATOM 19
1 C1z C 27.1992 -17.4163
2 C1y C 26.7494 -16.0875
3 C7x C 26.0751 -18.2566
4 C1x C 28.5872 -17.4851
5 O2x O 27.8290 -18.6608
6 C1y C 25.3431 -16.1112
7 C1x C 27.6006 -14.9721
8 O7x O 24.9311 -17.4496
9 O6a O 26.0970 -19.6550
10 C1z C 24.4403 -15.0296
11 C1x C 27.2701 -13.6094
12 C1y C 24.7323 -13.6618
13 C5x C 23.0479 -15.1600
14 C1a C 23.5388 -16.4695
15 C1y C 25.9929 -13.0286
16 C2x C 23.5247 -12.9526
17 C2x C 22.4873 -13.8840
18 O5x O 22.3417 -16.3628
19 C1a C 25.9628 -11.6320
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 2
9 6 10 1
10 7 11 1
11 10 12 1
12 10 13 1
13 10 14 1 #Up
14 11 15 1
15 12 16 1
16 13 17 1
17 13 18 2
18 15 19 1 #Up
19 4 5 1
20 6 8 1
21 12 15 1
22 16 17 2
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