ATOM 35
1 C1y C 12.5399 -17.2336
2 C1y C 12.5399 -18.6347
3 C1y C 13.8009 -19.3353
4 C1y C 14.9918 -18.6347
5 C2x C 14.9918 -17.2336
6 C2y C 13.8009 -16.5331
7 C1b C 13.8009 -15.1320
8 O1a O 14.9918 -14.4314
9 O1a O 11.3490 -19.3353
10 O1a O 13.8009 -20.7364
11 O1a O 11.3490 -16.5331
12 N1b N 16.2528 -19.3353
13 C1y C 17.4438 -18.6347
14 C1y C 18.6347 -19.3353
15 C1y C 19.8257 -18.6347
16 C1y C 19.8257 -17.2336
17 C1y C 18.6347 -16.5331
18 C1y C 17.4438 -17.2336
19 C1b C 18.6347 -15.1320
20 O2a O 21.0867 -16.5331
21 O1a O 18.6347 -20.7364
22 O1a O 21.0166 -19.3353
23 O1a O 19.8957 -14.4314
24 C1y C 22.2776 -15.8325
25 C1y C 23.4685 -16.5331
26 C1y C 24.7295 -15.8325
27 C1y C 24.7295 -14.4314
28 C1y C 23.4685 -13.7308
29 O2x O 22.2776 -14.4314
30 C1b C 23.4685 -12.3297
31 O1a O 25.9205 -16.5331
32 O1a O 23.4685 -17.9342
33 O1a O 25.9205 -13.7308
34 O1a O 24.6595 -11.6292
35 O1a O 16.2122 -16.5293
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 2 9 1 #Up
10 3 10 1 #Down
11 1 11 1 #Down
12 4 12 1 #Down
13 13 12 1 #Up
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 17 19 1 #Down
21 16 20 1 #Up
22 14 21 1 #Up
23 15 22 1 #Down
24 19 23 1
25 24 20 1 #Down
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 24 29 1
32 28 30 1 #Down
33 26 31 1 #Down
34 25 32 1 #Up
35 27 33 1 #Up
36 30 34 1
37 18 35 1 #Down
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