ATOM 27
1 C1z C 23.3333 -12.8319
2 C1y C 22.2174 -11.9892
3 O2x O 23.5002 -11.4398
4 C1x C 24.3796 -14.1479
5 C1y C 22.7939 -13.5506
6 C1x C 20.8538 -12.3366
7 C1y C 24.3988 -15.7565
8 O2x O 23.3684 -14.6642
9 O1a O 21.9285 -13.5654
10 C1x C 20.2819 -13.6262
11 C1y C 23.2579 -17.1500
12 O7a O 25.6358 -16.4240
13 C1x C 22.1651 -15.2281
14 C2y C 20.9324 -14.8751
15 C1y C 21.8628 -17.1768
16 C2y C 23.7141 -18.4691
17 C7a C 26.8312 -15.6837
18 C2x C 20.9372 -16.1759
19 O7x O 21.4566 -18.5042
20 C7x C 22.6005 -19.3120
21 C2a C 25.0650 -18.8827
22 C2c C 28.0597 -16.3513
23 O6a O 26.7867 -14.2821
24 O6a O 22.6247 -20.7152
25 C1b C 29.2549 -15.6108
26 C2a C 28.1040 -17.7527
27 O1a O 30.4891 -16.2782
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 4 7 1
7 5 8 1
8 5 9 1 #Up
9 6 10 1
10 7 11 1
11 7 12 1 #Down
12 8 13 1
13 10 14 1
14 11 15 1
15 11 16 1
16 12 17 1
17 14 18 2
18 15 19 1
19 16 20 1
20 16 21 2
21 17 22 1
22 17 23 2
23 20 24 2
24 22 25 1
25 22 26 2
26 25 27 1
27 2 3 1
28 13 14 1
29 15 18 1
30 19 20 1
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