ATOM 20
1 C1z C 29.1798 -19.2352
2 C8y C 28.0108 -19.9077
3 C1y C 30.3428 -19.9136
4 C1x C 30.3730 -18.5266
5 C2x C 29.1953 -17.7755
6 C8y C 28.0108 -21.2585
7 C8x C 26.8357 -19.2414
8 N1y N 30.3428 -21.2644
9 C1x C 31.5058 -19.2474
10 C1x C 31.5361 -20.5437
11 C2x C 30.3428 -17.2243
12 C1x C 29.1738 -21.9307
13 C8x C 26.8478 -21.9368
14 C8y C 25.6667 -19.9198
15 C1y C 31.5058 -17.8967
16 C8y C 25.6728 -21.2585
17 O1a O 32.7112 -17.1941
18 O1a O 24.4007 -21.6702
19 O2a O 24.4938 -19.2481
20 C1a C 23.3257 -19.9279
BOND 23
1 1 3 1
2 1 4 1 #Down
3 1 5 1
4 2 6 2
5 2 7 1
6 3 8 1
7 3 9 1
8 4 10 1
9 5 11 2
10 6 12 1
11 6 13 1
12 7 14 2
13 9 15 1
14 13 16 2
15 15 17 1 #Up
16 16 18 1
17 8 10 1 #Down
18 8 12 1
19 11 15 1
20 14 16 1
21 14 19 1
22 1 2 1
23 19 20 1
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