ATOM 40
1 C1y C 23.9296 -14.3015
2 N4y N 25.0016 -12.0691
3 O2x O 22.8071 -13.4817
4 C1y C 23.5260 -15.5816
5 C8y C 23.8224 -11.3629
6 C8x C 26.2124 -11.3629
7 C1y C 21.7099 -14.2698
8 C1y C 22.1513 -15.5816
9 O1a O 24.3332 -16.6915
10 N4x N 23.8224 -9.9754
11 O5x O 22.6307 -12.0439
12 C8x C 26.2124 -9.9754
13 C1b C 20.4045 -13.8536
14 O1a O 21.3505 -16.6977
15 C8y C 25.0080 -9.2882
16 O2b O 20.1145 -12.5168
17 O5x O 25.0016 -7.9197
18 P1b P 18.7398 -12.5104
19 O2c O 17.3652 -12.5104
20 O1c O 18.7398 -11.1422
21 O1c O 18.7334 -13.8853
22 P1b P 15.9967 -12.5104
23 O2b O 14.6157 -12.5042
24 O1c O 15.9967 -11.1422
25 O1c O 15.9967 -13.8853
26 C1y C 13.4301 -13.1916
27 C1y C 13.4301 -14.5663
28 O2x O 12.2321 -12.5042
29 C1y C 12.2321 -15.2535
30 N1b N 14.6157 -15.2535
31 C1y C 11.0401 -13.1916
32 C1y C 11.0401 -14.5663
33 O1a O 12.2321 -16.6220
34 C5a C 14.6157 -16.6220
35 C6a C 9.8673 -12.5104
36 O1a O 9.8673 -15.2535
37 C1a C 15.8074 -17.3030
38 O5a O 13.4301 -17.3094
39 O6a O 8.8142 -13.3933
40 O6a O 9.9366 -11.1231
BOND 42
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1 #Up
13 8 14 1 #Down
14 10 15 1
15 13 16 1
16 15 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 18 21 2
21 19 22 1
22 22 23 1
23 22 24 1
24 22 25 2
25 26 23 1 #Up
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Up
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 30 34 1
34 31 35 1 #Up
35 32 36 1 #Down
36 34 37 1
37 34 38 2
38 35 39 1
39 35 40 2
40 7 8 1
41 12 15 1
42 31 32 1
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