ATOM 36
1 C1z C 8.7602 -6.0304
2 C1z C 10.1610 -6.0304
3 O2x O 10.8614 -4.8397
4 C1y C 10.1610 -3.6490
5 C5x C 8.7602 -3.6490
6 C1x C 8.0598 -4.8397
7 O2x O 8.3400 -7.3612
8 C1y C 9.4606 -8.2017
9 C1y C 10.5813 -7.3612
10 C1a C 7.3594 -6.2405
11 O2x O 11.7719 -6.0304
12 O5x O 8.0598 -2.4584
13 C1a C 9.4606 -9.6025
14 C7a C 11.7719 -8.0616
15 O7a O 11.7719 -9.4624
16 O6a O 13.1027 -7.7114
17 C1y C 11.5618 -3.6490
18 C1y C 12.5424 -4.8397
19 C1a C 12.1222 -2.3883
20 C1c C 13.8732 -4.8397
21 C2b C 14.5736 -6.0304
22 C2c C 15.9744 -6.0304
23 C2b C 16.6748 -7.2211
24 C2b C 18.0756 -7.2211
25 C2c C 18.7760 -8.4818
26 C2y C 20.1768 -8.4818
27 C1a C 14.5736 -3.6490
28 C1a C 16.6748 -4.8397
29 O1a O 18.0756 -9.6725
30 C5x C 20.8772 -9.6725
31 C1x C 22.2080 -9.3924
32 N1x N 22.3480 -7.9915
33 C5x C 21.0873 -7.4312
34 O5x O 20.8072 -6.1005
35 O5x O 20.2468 -10.9332
36 C1a C 12.9844 -10.2324
BOND 39
1 1 2 1
2 2 3 1
3 4 3 1 #Up
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 2 9 1
11 1 10 1 #Down
12 2 11 1 #Down
13 5 12 2
14 8 13 1 #Up
15 9 14 1 #Up
16 14 15 1
17 14 16 2
18 4 17 1
19 17 18 1
20 18 11 1 #Up
21 17 19 1 #Down
22 18 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 20 27 1 #Down
30 22 28 1
31 25 29 1
32 26 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 26 33 1
37 33 34 2
38 30 35 2
39 15 36 1
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