ATOM 36
1 C1y C 26.5578 -19.3064
2 C5x C 27.7127 -18.6374
3 N1x N 28.8747 -19.2995
4 C1y C 30.0297 -18.6305
5 C1c C 31.1848 -19.2924
6 C1b C 32.3468 -18.6234
7 C1a C 33.5017 -19.2853
8 C8x C 26.0590 -14.4225
9 C8y C 26.0590 -15.7605
10 C8x C 27.2202 -16.4296
11 C8x C 28.3744 -15.7605
12 C8y C 28.3744 -14.4225
13 C8x C 27.2202 -13.7533
14 C2x C 29.5402 -13.7543
15 O2x O 24.8939 -16.4301
16 C1y C 24.8948 -18.3458
17 C2x C 31.1981 -14.7130
18 N1x N 31.1954 -16.6326
19 C5x C 30.0266 -17.2852
20 O5x O 27.7097 -17.2923
21 O5x O 28.8725 -16.6091
22 C1a C 31.1878 -20.6305
23 N1b N 26.5588 -20.6445
24 C1c C 23.7324 -19.0190
25 C1a C 22.5732 -18.3512
26 C1a C 23.7341 -20.3641
27 C5a C 27.7176 -21.3127
28 C1c C 27.7188 -22.6578
29 O5a O 28.8825 -20.6427
30 N1c N 26.5610 -23.3278
31 C1b C 28.8847 -23.3259
32 C1c C 28.8857 -24.6641
33 C1a C 30.0445 -25.3320
34 C1a C 27.7210 -25.3341
35 C1a C 25.4022 -22.6596
36 C1a C 26.5620 -24.6659
BOND 37
1 5 6 1
2 4 19 1
3 19 18 1
4 1 2 1
5 2 20 2
6 8 9 1
7 19 21 2
8 9 10 2
9 5 22 1 #Down
10 10 11 1
11 1 23 1 #Up
12 11 12 2
13 16 24 1 #Down
14 12 13 1
15 24 25 1
16 13 8 2
17 24 26 1
18 6 7 1
19 12 14 1
20 23 27 1
21 3 4 1
22 28 27 1 #Down
23 9 15 1
24 27 29 2
25 28 30 1
26 15 16 1
27 28 31 1
28 4 5 1
29 31 32 1
30 14 17 2
31 32 33 1
32 16 1 1
33 32 34 1
34 2 3 1
35 30 35 1
36 17 18 1
37 30 36 1
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