ATOM 29
1 C1y C 30.7047 -17.8102
2 C5x C 30.7061 -19.2061
3 N1y N 32.0277 -19.1973
4 C1x C 32.0892 -17.8053
5 O5x O 29.7239 -20.2010
6 N1b N 30.0018 -16.5930
7 C5a C 28.7947 -17.3052
8 C2c C 27.5768 -16.6021
9 C8y C 26.3590 -17.3052
10 O5a O 28.8014 -18.7114
11 N2b N 27.5768 -15.1962
12 C1c C 33.2615 -19.9113
13 C8y C 34.4759 -19.2101
14 C8x C 35.6902 -19.9113
15 C6a C 33.2609 -21.3132
16 O6a O 32.0299 -22.0233
17 O6a O 34.4586 -22.0056
18 C8x C 36.9045 -19.2101
19 C8y C 36.9045 -17.8080
20 C8x C 35.6902 -17.1068
21 C8x C 34.4759 -17.8080
22 O1a O 38.1040 -17.1153
23 C8x C 25.1447 -16.6041
24 C8x C 23.9303 -17.3052
25 C8y C 23.9303 -18.7074
26 C8x C 25.1447 -19.4086
27 C8x C 26.3590 -18.7074
28 O1a O 22.7003 -19.4205
29 O1b O 26.3921 -14.5123
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 2 5 2
6 1 6 1 #Up
7 6 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 8 11 2
12 3 12 1
13 12 13 1
14 13 14 1
15 12 15 1 #Down
16 15 16 2
17 15 17 1
18 14 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 13 21 2
23 19 22 1
24 9 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 9 27 1
30 25 28 1
31 11 29 1
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