ATOM 33
1 C8y C 24.4083 -13.5959
2 C1b C 25.5873 -14.2732
3 C7a C 26.7664 -13.5897
4 O7a O 27.9517 -14.2608
5 O6a O 26.7600 -12.2226
6 C1y C 29.1308 -14.9381
7 C1y C 30.3161 -14.2608
8 C1y C 29.1308 -16.3178
9 C1y C 31.5139 -14.9381
10 O1a O 30.3097 -12.8936
11 C1y C 30.3161 -17.0138
12 O1a O 27.9517 -16.9951
13 C1y C 31.5139 -16.3178
14 O1a O 32.7870 -14.4050
15 O1a O 30.3097 -18.3812
16 O2a O 32.6930 -16.9951
17 C1y C 33.9598 -17.6222
18 C1y C 33.9598 -18.9832
19 O2x O 35.1515 -16.9449
20 C1y C 35.1515 -19.6730
21 O1a O 32.7745 -19.6730
22 C1x C 36.3306 -17.6222
23 C1y C 36.3306 -18.9832
24 O1a O 35.1515 -21.0340
25 O1a O 37.5159 -19.6669
26 C8x C 24.2573 -12.1907
27 N4x N 22.8742 -11.9001
28 C8y C 22.1704 -13.1256
29 C8y C 23.1185 -14.1737
30 C8x C 20.8017 -13.4199
31 C8x C 20.3722 -14.7524
32 C8x C 21.3203 -15.8004
33 C8x C 22.6890 -15.5062
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 2
5 6 4 1 #Up
6 6 7 1
7 6 8 1
8 7 9 1
9 7 10 1 #Up
10 8 11 1
11 8 12 1 #Up
12 9 13 1
13 9 14 1 #Down
14 11 15 1 #Down
15 13 16 1 #Up
16 17 16 1 #Down
17 17 18 1
18 17 19 1
19 18 20 1
20 18 21 1 #Up
21 19 22 1
22 20 23 1
23 20 24 1 #Down
24 23 25 1 #Down
25 11 13 1
26 22 23 1
27 1 26 2
28 26 27 1
29 27 28 1
30 28 29 1
31 1 29 1
32 28 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 29 33 2
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