ATOM 40
1 C1y C 25.0756 -17.4135
2 N4y N 26.1573 -15.2033
3 O2x O 23.9470 -16.6142
4 C1y C 24.6994 -18.6831
5 C8y C 24.9816 -14.4980
6 C8x C 27.3798 -14.4980
7 C1y C 22.8654 -17.4135
8 C1y C 23.3358 -18.6831
9 O1a O 25.4988 -19.8119
10 N4x N 24.9816 -13.1341
11 O5x O 23.8060 -15.1562
12 C8x C 27.3798 -13.1341
13 C1b C 21.5957 -16.9903
14 O1a O 22.5363 -19.8119
15 C8y C 26.1573 -12.4288
16 O2b O 21.3136 -15.6265
17 O5x O 26.1573 -11.0651
18 P1b P 19.9028 -15.6265
19 O2c O 18.5391 -15.6265
20 O1c O 19.9028 -16.9903
21 O1c O 19.9028 -14.2628
22 P1b P 17.1752 -15.6265
23 O2b O 15.8115 -15.6265
24 O1c O 17.1752 -16.9903
25 O1c O 17.1752 -14.2628
26 C1y C 14.6358 -16.3320
27 C1y C 14.6358 -17.6957
28 O2x O 13.4601 -15.6265
29 C1y C 13.4601 -18.4010
30 N1b N 15.8115 -18.4010
31 C1y C 12.2845 -16.3320
32 C1y C 12.2845 -17.6957
33 O1a O 13.4601 -19.7648
34 C6a C 11.0617 -15.6265
35 O1a O 11.0617 -18.4010
36 O6a O 9.8392 -16.3320
37 O6a O 11.0617 -14.2628
38 C5a C 15.8348 -19.7863
39 C1a C 14.9221 -20.9403
40 O5a O 16.9701 -20.4954
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 #Down
26 26 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 29 33 1 #Up
33 31 34 1 #Down
34 32 35 1 #Up
35 34 36 1
36 34 37 2
37 7 8 1
38 12 15 1
39 31 32 1
40 30 38 1
41 38 39 1
42 38 40 2
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