ATOM 32
1 C1y C 22.4764 -18.7597
2 C1z C 22.4821 -17.3540
3 C1z C 21.2691 -19.4536
4 C1y C 23.6894 -19.4595
5 C1y C 23.7011 -16.6542
6 C1x C 21.2691 -16.6484
7 C1a C 22.4705 -15.9543
8 C1x C 20.0502 -18.7597
9 C7a C 21.2574 -20.8591
10 C1a C 20.0501 -20.2410
11 C5x C 24.8966 -18.7654
12 O1a O 23.6720 -20.8591
13 C1y C 24.9026 -17.3657
14 C1x C 23.7127 -15.2544
15 C1x C 20.0502 -17.3540
16 O7a O 22.4705 -21.5649
17 O6a O 20.0385 -21.5532
18 O5x O 26.0981 -19.4536
19 C1y C 26.1156 -16.6775
20 C1x C 24.9259 -14.5722
21 C1a C 22.4705 -22.9587
22 C2y C 26.1272 -15.2778
23 C1a C 27.3228 -17.3774
24 C2b C 27.3462 -14.5955
25 C7a C 27.3521 -13.1958
26 O7a O 28.5651 -12.4902
27 O6a O 26.1332 -12.4902
28 C1b C 29.7781 -13.1900
29 C1b C 30.9854 -12.4842
30 N1c N 32.1985 -13.1841
31 C1a C 33.4115 -12.4785
32 C1a C 32.1985 -14.5779
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1 #Up
9 3 10 1 #Down
10 4 11 1
11 4 12 1 #Down
12 5 13 1
13 5 14 1
14 6 15 1
15 9 16 1
16 9 17 2
17 11 18 2
18 13 19 1
19 14 20 1
20 16 21 1
21 19 22 1
22 19 23 1 #Down
23 22 24 2
24 24 25 1
25 25 26 1
26 25 27 2
27 26 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 30 32 1
32 8 15 1
33 11 13 1
34 20 22 1
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