ATOM 18
1 C1y C 29.4958 -22.5665
2 N5y N 30.1130 -20.4762 #+
3 O2x O 28.3894 -21.7805
4 C1x C 29.0765 -23.8592
5 C8x C 31.3243 -19.8241
6 C8x C 28.9369 -19.7891
7 C1y C 27.3123 -22.5665
8 C1y C 27.7257 -23.8592
9 C8x C 31.2834 -18.4208
10 N5x N 28.9369 -18.4208
11 C1b C 26.0313 -22.1474
12 O1a O 26.9279 -24.9423
13 C8x C 30.1130 -17.7454
14 O2b O 25.7635 -20.8256
15 P1b P 24.4009 -20.8256
16 O1c O 23.0558 -20.8256
17 O1c O 24.4067 -19.4747
18 O1c O 24.3950 -22.1706
BOND 19
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1 #Up
11 8 12 1 #Down
12 9 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 15 17 1
17 15 18 2
18 7 8 1
19 10 13 2
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