ATOM 40
1 N4y N 34.9980 -19.6704
2 C8y C 33.6940 -19.2587
3 C1y C 34.6426 -22.3783
4 C8x C 35.7966 -18.5786
5 C8y C 33.6940 -17.8860
6 N5x N 32.5024 -19.9512
7 O2x O 33.5196 -21.5671
8 C1y C 34.2308 -23.6510
9 N5x N 34.9980 -17.4619
10 C8y C 32.5024 -17.2061
11 C8y C 31.3293 -19.2587
12 C1y C 32.4278 -22.3533
13 C1y C 32.8646 -23.6510
14 O1a O 35.0358 -24.7429
15 N4x N 31.3293 -17.8860
16 O5x O 32.5024 -16.0615
17 N1a N 30.1502 -19.9326
18 C1b C 31.1362 -21.9415
19 O1a O 32.0909 -24.7554
20 O2b O 29.9571 -22.6092
21 P1b P 28.5969 -22.6092
22 O2c O 27.2431 -22.6092
23 O1c O 28.5583 -24.0826
24 O1c O 28.5333 -21.1155
25 P1b P 25.8828 -22.6092
26 O2b O 24.5290 -22.6153
27 O1c O 25.9141 -24.0752
28 O1c O 25.8891 -21.1155
29 C1y C 23.3560 -23.2955
30 O2x O 22.1644 -22.6216
31 C1y C 23.3560 -24.6680
32 C1y C 20.9914 -23.2955
33 C1y C 22.1644 -25.3668
34 O1a O 24.5352 -25.3481
35 C1y C 20.9914 -24.6680
36 C6a C 19.8183 -22.6216
37 O1a O 22.1644 -26.7207
38 O1a O 19.8122 -25.3418
39 O6a O 19.8183 -21.2615
40 O6a O 18.6453 -23.3016
BOND 43
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 1
15 10 16 2
16 11 17 1
17 12 18 1 #Up
18 13 19 1 #Down
19 18 20 1
20 20 21 1
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 25 26 1
26 25 27 1
27 25 28 2
28 29 26 1 #Down
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1
35 32 36 1 #Up
36 33 37 1 #Up
37 35 38 1 #Down
38 36 39 1
39 36 40 2
40 5 9 1
41 11 15 1
42 12 13 1
43 33 35 1
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