ATOM 27
1 C1z C 24.9046 -17.4632
2 C8y C 24.9046 -16.1187
3 C1y C 23.7352 -18.1242
4 C1y C 26.0628 -18.1412
5 C1x C 26.0683 -16.7796
6 C8y C 23.7294 -15.4463
7 C8y C 26.0741 -15.4463
8 O2x O 22.7069 -16.7456
9 C1y C 23.7239 -19.4687
10 C1y C 27.2321 -17.4746
11 C2x C 26.0515 -19.4858
12 C1x C 28.4546 -16.7966
13 C8y C 23.7294 -14.0961
14 C1x C 27.2378 -16.1242
15 C8x C 26.0741 -14.0961
16 C2x C 24.8820 -20.1467
17 O7a O 22.5487 -20.1354
18 N1y N 28.4015 -18.1525
19 C8x C 24.9046 -13.4182
20 O7a O 22.5600 -13.4182
21 C7a C 21.3850 -19.4519
22 C1a C 29.6953 -17.7965
23 C7a C 21.3905 -14.0961
24 C1a C 20.2098 -20.1185
25 O6a O 21.3263 -18.1015
26 C1a C 20.2211 -13.4182
27 O6a O 21.3905 -15.4463
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 2
7 3 8 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 7 15 1
15 9 16 1
16 9 17 1 #Down
17 10 18 1 #Up
18 13 19 1
19 13 20 1
20 17 21 1
21 18 22 1
22 20 23 1
23 21 24 1
24 21 25 2
25 23 26 1
26 23 27 2
27 6 8 1
28 10 14 1
29 11 16 2
30 12 18 1
31 15 19 2
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