ATOM 33
1 C8y C 27.2461 -19.9492
2 S2x S 26.1235 -19.1104
3 C8y C 24.9789 -19.9188
4 C8x C 25.3939 -21.2572
5 N5x N 26.7952 -21.2761
6 S2a S 23.6579 -19.4699
7 C1b C 22.6209 -20.3785
8 C8y C 21.2933 -19.9271
9 O2x O 20.8811 -18.5977
10 C8y C 19.4895 -18.5790
11 C8x C 19.0415 -19.8968
12 N5x N 20.1563 -20.7300
13 C1d C 18.6856 -17.4408
14 C1a C 17.8829 -16.2508
15 C1a C 17.5421 -18.2300
16 C1a C 19.8486 -16.6383
17 C1b C 28.4424 -19.2500
18 C5a C 29.6549 -19.9500
19 N1b N 30.8673 -19.2500
20 C8y C 32.0797 -19.9500
21 O5a O 29.6549 -21.3498
22 C8x C 32.0797 -21.3499
23 C8x C 33.2922 -22.0499
24 C8y C 34.5046 -21.3499
25 C8x C 34.5046 -19.9500
26 C8x C 33.2922 -19.2500
27 C1b C 35.7224 -22.0500
28 N1b N 36.9349 -21.3500
29 C1c C 38.1473 -22.0500
30 C1b C 39.3597 -21.3500
31 O1a O 40.5722 -22.0500
32 C1b C 38.1473 -23.4500
33 O1a O 39.3618 -24.1512
BOND 35
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 2
6 3 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 10 13 1
15 13 14 1
16 13 15 1
17 13 16 1
18 1 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 18 21 2
23 20 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 20 26 1
29 24 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 29 32 1
35 32 33 1
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