ATOM 30
1 C1y C 30.8623 -17.4089
2 C5x C 30.8623 -18.8057
3 N1y N 32.2590 -18.8057
4 C1y C 32.2590 -17.4089
5 C1y C 33.5860 -19.2246
6 C1z C 34.4240 -18.1072
7 S2x S 33.5860 -16.9899
8 C1a C 35.4017 -19.0850
9 C1a C 35.4017 -17.1296
10 C6a C 34.0748 -20.6215
11 O6a O 35.4715 -20.6215 #-
12 O6a O 33.2368 -21.7389
13 N1b N 29.6751 -16.7106
14 C5a C 28.4878 -17.4089
15 O5x O 29.6751 -19.5041
16 O5a O 28.4878 -18.8057
17 C8y C 27.2308 -16.7106
18 C8y C 27.2308 -15.3139
19 C8x C 26.0124 -14.6105
20 C8x C 24.7941 -15.3139
21 C8y C 24.7941 -16.7106
22 C8y C 26.0124 -17.4140
23 C8x C 23.5758 -17.4140
24 C8x C 23.5758 -18.8208
25 C8x C 24.7941 -19.5242
26 C8x C 26.0124 -18.8208
27 O2a O 28.4306 -14.6209
28 C1b C 28.4306 -13.2141
29 C1a C 29.6317 -12.5202
30 Z Na 37.0778 -20.6912 #+
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 5 6 1
7 6 7 1
8 4 7 1
9 6 8 1
10 6 9 1
11 5 10 1 #Down
12 10 11 1
13 10 12 2
14 1 13 1 #Up
15 13 14 1
16 2 15 2
17 14 16 2
18 14 17 1
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 17 22 2
25 21 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 22 26 1
30 18 27 1
31 27 28 1
32 28 29 1
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