ATOM 27
1 C1z C 28.2452 -16.2912
2 C8y C 27.0395 -15.5863
3 C1y C 29.3868 -17.1241
4 C5x C 27.1093 -17.1241
5 N1y N 29.4684 -15.5980
6 C8y C 27.0453 -14.1884
7 C8x C 25.8454 -16.2912
8 C8y C 28.9500 -18.4463
9 O1a O 30.5868 -17.8172
10 C8y C 27.5520 -18.4463
11 O5x O 25.7056 -17.1766
12 C1x C 29.4741 -14.1943
13 C1a C 30.6741 -16.2970
14 C8x C 25.8454 -13.4894
15 C1x C 28.2626 -13.4953
16 C8y C 24.6281 -15.5863
17 C8y C 29.6430 -19.6579
18 C8x C 26.8473 -19.6579
19 C8y C 24.6281 -14.1884
20 O1a O 23.4107 -16.2853
21 C8y C 28.9383 -20.8753
22 O2x O 31.0177 -19.9608
23 C8x C 27.5520 -20.8694
24 O2a O 23.4164 -13.4894
25 O2x O 29.8761 -21.9295
26 C1x C 31.1633 -21.3645
27 C1a C 22.2049 -14.1767
BOND 31
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 4 11 2
11 5 12 1
12 5 13 1
13 6 14 1
14 6 15 1
15 7 16 2
16 8 17 1
17 10 18 1
18 14 19 2
19 16 20 1
20 17 21 2
21 17 22 1
22 18 23 2
23 19 24 1
24 21 25 1
25 22 26 1
26 24 27 1
27 8 10 2
28 12 15 1
29 16 19 1
30 21 23 1
31 25 26 1
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