ATOM 26
1 C1y C 17.9200 -22.8200
2 N1x N 17.9200 -24.2200
3 C5x C 19.1324 -24.9200
4 C1y C 20.3449 -24.2200
5 N1y N 20.3449 -22.8200
6 C5x C 19.1324 -22.1200
7 C1x C 21.6764 -24.6526
8 C1x C 22.4993 -23.5200
9 C1x C 21.6764 -22.3874
10 C1b C 16.7076 -22.1200
11 C8y C 15.5121 -22.8104
12 C8y C 14.2599 -22.2530
13 C8y C 13.3429 -23.2716
14 N4x N 14.0283 -24.4585
15 C8y C 15.3689 -24.1735
16 C8x C 13.8272 -20.9216
17 C8x C 12.4578 -20.6306
18 C8x C 11.5408 -21.6492
19 C8x C 11.9735 -22.9807
20 O5x O 19.1324 -20.7200
21 O5x O 19.1324 -26.3200
22 C1b C 16.4144 -25.1149
23 C2b C 16.1192 -26.5055
24 C2c C 17.1611 -27.4433
25 C1a C 18.4834 -27.2933
26 C1a C 16.8705 -28.8118
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 1 10 1 #Up
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 11 15 2
18 12 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 13 19 2
23 6 20 2
24 3 21 2
25 15 22 1
26 22 23 1
27 23 24 2
28 24 25 1
29 24 26 1
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