ATOM 21
1 C8y C 26.2413 -20.2371
2 C8y C 26.2413 -21.5977
3 C8x C 27.4224 -22.2779
4 C8x C 27.4224 -19.5569
5 C8y C 28.5966 -20.2371
6 C8y C 28.6606 -21.5977
7 C1x C 29.7659 -22.2830
8 N1y N 30.9472 -21.6077
9 C1z C 29.7776 -19.5620
10 C1y C 30.9472 -20.2502
11 C1x C 32.1279 -19.5813
12 C1x C 32.1390 -18.2243
13 C1y C 30.9694 -17.5363
14 C1y C 29.7187 -18.2051
15 O2a O 25.0634 -19.5564
16 O2a O 25.0634 -22.2786
17 C1a C 23.8775 -20.2235
18 C1a C 23.8775 -21.5977
19 O2x O 29.7800 -16.8428
20 C1x C 30.9480 -18.8699
21 C1x C 32.1162 -20.9174
BOND 25
1 1 2 1
2 2 3 2
3 3 6 1
4 9 10 1
5 10 11 1
6 11 12 1
7 12 13 1
8 13 14 1
9 14 9 1
10 5 6 2
11 1 15 1
12 6 7 1
13 2 16 1
14 7 8 1
15 15 17 1
16 8 10 1
17 16 18 1
18 13 19 1 #Up
19 9 5 1
20 14 19 1 #Up
21 5 4 1
22 9 20 1 #Up
23 4 1 2
24 8 21 1 #Up
25 20 21 1
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