ATOM 21
1 C1z C 25.0492 -19.5275
2 C8y C 23.9124 -20.1818
3 C1y C 26.1755 -20.1923
4 C1y C 26.1813 -18.8627
5 C2x C 25.0609 -18.2213
6 C8y C 23.9708 -21.4879
7 C8x C 22.7814 -19.5158
8 N1y N 26.1755 -21.5055
9 C1x C 27.3123 -19.5509
10 C1x C 27.3006 -20.8466
11 C2x C 26.2047 -17.5858
12 C8x C 22.7757 -22.1412
13 C1x C 25.0316 -22.1528
14 C8y C 21.6436 -20.1761
15 C1y C 27.3298 -18.2447
16 C8y C 21.6436 -21.4879
17 O2x O 20.4016 -19.7671
18 O1a O 28.4547 -17.5801
19 O2x O 20.4016 -21.8841
20 C1x C 19.6318 -20.8290
21 O1a O 28.8047 -19.5057
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 2
14 9 15 1
15 12 16 2
16 14 17 1
17 15 18 1 #Down
18 16 19 1
19 17 20 1
20 8 10 1 #Down
21 8 13 1
22 11 15 1
23 14 16 1
24 19 20 1
25 4 21 1 #Up
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