ATOM 35
1 C1y C 25.3302 -16.7061
2 C8y C 24.1104 -16.0117
3 N1y N 26.5442 -16.0234
4 C1x C 25.3128 -18.1068
5 C8y C 24.0464 -14.6110
6 C8x C 22.9083 -16.7120
7 C5x C 27.7406 -16.7294
8 C1x C 26.5499 -14.6227
9 C1y C 26.5266 -18.8130
10 C1x C 25.3361 -13.9107
11 C8x C 22.9083 -13.9049
12 C8y C 21.6885 -16.0117
13 C2y C 27.7289 -18.1301
14 O5x O 28.9487 -16.0174
15 C1y C 26.5092 -20.2078
16 C8y C 21.6885 -14.6110
17 O1a O 20.4747 -16.7120
18 C2x C 28.9311 -18.8362
19 C1y C 27.6996 -20.9081
20 C2b C 25.2837 -20.8905
21 O1a O 20.4747 -13.9049
22 O2x O 28.9136 -20.2311
23 O2a O 27.6880 -22.3088
24 C2a C 25.2777 -22.2971
25 C1y C 28.9020 -23.0149
26 O2x O 28.9020 -24.4156
27 C1y C 30.1158 -22.3145
28 C1y C 30.1158 -25.1159
29 C1y C 31.3298 -23.0208
30 O1a O 30.1100 -20.9081
31 C1y C 31.3298 -24.4215
32 C1b C 30.0984 -26.5106
33 O1a O 32.5436 -22.3029
34 O1a O 32.5319 -25.1159
35 O1a O 31.3122 -27.2169
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 2
14 9 15 1
15 11 16 2
16 12 17 1
17 13 18 2
18 15 19 1
19 15 20 1 #Down
20 16 21 1
21 18 22 1
22 19 23 1 #Up
23 20 24 2
24 25 23 1 #Up
25 25 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 28 32 1 #Up
32 29 33 1 #Up
33 31 34 1 #Down
34 32 35 1
35 8 10 1
36 9 13 1
37 12 16 1
38 19 22 1
39 29 31 1
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