ATOM 27
1 N1y N 26.2119 -19.5344
2 C1y C 26.2119 -20.9365
3 C1y C 25.0083 -18.8216
4 C1x C 27.4212 -18.8391
5 C2x C 25.0083 -21.6316
6 C1c C 27.4212 -21.6259
7 C1x C 23.7873 -19.5285
8 C1x C 25.0142 -17.4253
9 C1x C 28.6246 -19.5578
10 C2x C 23.7873 -20.9365
11 C1c C 27.4212 -23.0221
12 O1a O 28.6363 -20.9189
13 C5x C 26.2235 -16.7301
14 C1x C 29.8397 -18.8684
15 C1b C 28.6363 -23.7289
16 O1a O 26.2002 -23.7231
17 N1x N 27.4386 -17.4370
18 O5x O 26.2819 -15.3222
19 N1x N 31.1893 -19.2598
20 C1b C 29.8513 -23.0338
21 C1x C 28.6596 -16.7535
22 C1x C 31.9838 -18.0913
23 C1b C 29.8513 -21.6316
24 C1x C 29.7931 -17.4603
25 C1x C 31.1134 -16.9814
26 C1b C 31.0666 -20.9365
27 C1a C 32.2759 -21.6316
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Down
12 8 13 1
13 9 14 1
14 11 15 1
15 11 16 1 #Up
16 13 17 1
17 13 18 2
18 14 19 1
19 15 20 1
20 17 21 1
21 19 22 1
22 20 23 1
23 21 24 1
24 22 25 1
25 23 26 1
26 26 27 1
27 7 10 1
28 24 25 1
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