ATOM 31
1 C8y C 27.3132 -19.3341
2 N4y N 26.5176 -20.5101
3 C8y C 26.4357 -18.2166
4 C8y C 28.5009 -19.2521
5 C8y C 25.0900 -20.0596
6 C1y C 26.9564 -21.8792
7 C8y C 25.0958 -18.7022
8 C8x C 27.0441 -16.9529
9 C1x C 29.7180 -20.2527
10 N5x N 29.1387 -18.0469
11 C8x C 23.9140 -20.7325
12 C1y C 28.2786 -22.3999
13 C1a C 25.7393 -22.6340
14 C8x C 23.9257 -18.0118
15 C8y C 28.4132 -16.9001
16 C1y C 29.5132 -21.6686
17 C8x C 22.7380 -20.0479
18 C1y C 28.2961 -23.8275
19 C8y C 22.7438 -18.6905
20 C6a C 29.0334 -15.7183
21 C2y C 30.7652 -22.3707
22 O2x O 29.5483 -24.5354
23 O1a O 27.0792 -24.5882
24 O1a O 21.5678 -18.0118
25 O6a O 30.3673 -15.7240
26 O6a O 28.3078 -14.5832
27 C2x C 30.7827 -23.8041
28 C7a C 31.9589 -21.6043
29 O7a O 33.2226 -22.2653
30 O6a O 31.9586 -20.1767
31 C1a C 34.4220 -21.5047
BOND 35
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 1
12 6 13 1 #Up
13 7 14 1
14 8 15 2
15 9 16 1
16 11 17 2
17 12 18 1
18 14 19 2
19 15 20 1
20 16 21 1
21 18 22 1
22 18 23 1 #Down
23 19 24 1
24 20 25 1
25 20 26 2
26 21 27 2
27 21 28 1
28 28 29 1
29 28 30 2
30 29 31 1
31 5 7 2
32 10 15 1
33 12 16 1
34 17 19 1
35 22 27 1
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