ATOM 26
1 C1y C 30.8464 -22.2148
2 O2x O 29.7843 -21.4478
3 C1y C 30.4569 -23.4186
4 C1y C 28.7458 -22.1913
5 C1y C 29.1529 -23.4186
6 O1a O 31.2181 -24.4511
7 C1b C 27.5303 -21.8136
8 O1a O 28.3514 -24.5328
9 N4y N 32.2057 -21.7705
10 C8y C 33.3358 -22.5885
11 C8y C 34.4631 -21.7664
12 N5x N 34.0296 -20.4403
13 C8x C 32.6344 -20.4428
14 N5x N 33.4847 -23.9805
15 C8x C 34.7647 -24.5477
16 N5x N 35.8919 -23.7256
17 C8y C 35.7430 -22.3335
18 N1a N 36.8933 -21.4944
19 S2a S 26.2976 -22.5400
20 C1b C 25.0851 -21.8400
21 C1b C 23.8727 -22.5400
22 C1c C 22.6603 -21.8400
23 C6a C 21.4478 -22.5400
24 O6a O 20.2354 -21.8400
25 N1a N 22.6603 -20.4401
26 O6a O 21.4478 -23.9397
BOND 28
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Down
6 4 7 1 #Up
7 5 8 1 #Down
8 4 5 1
9 1 9 1 #Up
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 9 13 1
15 10 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 11 17 1
20 17 18 1
21 7 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 22 25 1 #Up
28 23 26 2
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