ATOM 28
1 C1y C 29.3547 -19.7592
2 S2a S 29.3370 -18.3333
3 O2x O 28.2092 -20.4195
4 C1y C 30.4185 -20.4254
5 C2c C 29.3487 -17.0242
6 C1y C 28.2092 -21.7345
7 C1y C 30.4825 -21.7402
8 O1a O 31.6221 -19.7709
9 C1b C 28.0924 -16.3053
10 N2b N 30.4768 -16.3521
11 C1y C 29.3487 -22.4007
12 C1b C 27.0639 -22.4181
13 O1a O 31.6163 -22.4124
14 C8y C 26.9117 -17.0183
15 O2a O 31.6104 -15.6859
16 O1a O 29.3370 -23.7156
17 O1a O 25.9184 -21.7636
18 C8x C 25.5852 -16.2936
19 C8x C 26.8476 -18.4619
20 S4a S 32.8435 -16.6151
21 C8y C 24.3347 -17.0300
22 C8x C 25.5969 -19.1981
23 O1d O 33.9188 -15.4114
24 O1d O 31.7507 -17.7547
25 O1d O 34.1351 -17.4217
26 C8x C 24.3406 -18.4794
27 O2a O 23.0841 -16.2879
28 C1a C 21.8336 -17.0183
BOND 29
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 10 15 1
15 11 16 1 #Down
16 12 17 1
17 14 18 2
18 14 19 1
19 15 20 1
20 18 21 1
21 19 22 2
22 20 23 2
23 20 24 2
24 20 25 1
25 21 26 2
26 21 27 1
27 27 28 1
28 7 11 1
29 22 26 1
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