ATOM 23
1 C1y C 20.3671 -16.8164
2 O2x O 19.2091 -17.4867
3 C1y C 21.5248 -17.4924
4 S2a S 20.3493 -15.3647
5 C1y C 19.2091 -18.8149
6 C1y C 21.5189 -18.8209
7 O1a O 22.6770 -16.8282
8 C2c C 20.3610 -14.0305
9 C1y C 20.3610 -19.4909
10 C1b C 18.0453 -19.5086
11 O1a O 22.6711 -19.5026
12 N2b N 21.5131 -13.3487
13 C1c C 19.0915 -13.3016
14 O1a O 20.3493 -20.8309
15 O1a O 16.8816 -18.8561
16 O2a O 22.6653 -12.6727
17 S4a S 23.9231 -13.6190
18 O1d O 25.0045 -12.3906
19 O1d O 22.8121 -14.7769
20 O1d O 25.2279 -14.4360
21 C1a C 19.0915 -11.8925
22 C1b C 17.8516 -14.0191
23 O1a O 16.6623 -13.3339
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 16 17 1
17 17 18 2
18 17 19 2
19 17 20 1
20 6 9 1
21 13 21 1
22 13 22 1
23 22 23 1
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