ATOM 40
1 C1y C 20.6561 -20.1010
2 C1y C 20.6561 -21.5019
3 C1y C 21.8469 -22.2024
4 C1y C 23.1077 -21.5019
5 C1y C 23.1077 -20.1010
6 O2x O 21.8469 -19.4006
7 O2a O 24.2985 -19.4006
8 C1y C 25.4893 -18.7001
9 C1y C 26.6800 -19.4006
10 C1x C 27.9409 -18.7001
11 C1y C 27.9409 -17.2992
12 C1y C 26.6800 -16.5988
13 C1y C 25.4893 -17.2992
14 O2a O 26.6800 -15.1978
15 C1y C 27.8708 -14.4974
16 C1b C 19.4653 -19.4006
17 O1a O 18.2746 -20.1010
18 O1a O 19.4653 -22.2024
19 N1a N 21.8469 -23.6033
20 O1a O 24.2985 -22.2024
21 N1b N 26.6800 -20.8015
22 C5a C 27.8708 -21.5019
23 C1c C 29.1316 -20.8015
24 C1b C 30.3224 -21.5019
25 C1b C 31.5132 -20.8015
26 N1a N 32.7740 -21.5019
27 O2x O 29.1316 -15.1978
28 C1y C 30.3224 -14.4974
29 C1y C 30.3224 -13.0965
30 C1y C 29.0616 -12.3960
31 C1y C 27.8708 -13.0965
32 C1b C 31.5832 -15.1978
33 N1a N 31.5832 -16.5988
34 O1a O 31.5132 -12.3260
35 O1a O 29.0616 -10.9951
36 O1a O 26.6800 -12.3960
37 O5a O 27.8708 -22.9029
38 O1a O 29.1316 -19.4006
39 N1a N 29.0616 -16.5988
40 O1a O 24.2985 -16.5988
BOND 42
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Down
8 8 7 1 #Down
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 12 14 1 #Down
16 15 14 1 #Down
17 1 16 1 #Up
18 16 17 1
19 2 18 1 #Down
20 3 19 1 #Up
21 4 20 1 #Down
22 9 21 1 #Up
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 15 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 15 31 1
34 28 32 1 #Up
35 32 33 1
36 29 34 1 #Down
37 30 35 1 #Up
38 31 36 1 #Down
39 22 37 2
40 23 38 1 #Up
41 11 39 1 #Up
42 13 40 1 #Up
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