ATOM 27
1 C8x C 13.1600 -16.9400
2 C8x C 13.1600 -18.3400
3 C8x C 14.3724 -19.0400
4 C8y C 15.5849 -18.3400
5 C8y C 15.5849 -16.9400
6 C8x C 14.3724 -16.2400
7 N1y N 16.7973 -19.0400
8 C1y C 18.0097 -18.3400
9 C1z C 18.0097 -16.9400
10 C1y C 19.2222 -19.0400
11 N1y N 20.4346 -18.3400
12 C1y C 20.4346 -16.9400
13 C1x C 19.2222 -16.2400
14 C1x C 19.2222 -20.4400
15 C1y C 20.6446 -19.8800
16 C1y C 21.6470 -20.4400
17 C1y C 21.6470 -19.0400
18 C1a C 16.7973 -20.4400
19 O1a O 22.8466 -18.3473
20 C1b C 22.8466 -21.1327
21 C1a C 24.0359 -20.4460
22 C1y C 22.2670 -14.6777
23 C1y C 18.3597 -14.2800
24 O7a O 17.4837 -13.1724
25 C7a C 16.4938 -12.1825
26 C1a C 15.1666 -12.5381
27 O6a O 16.8582 -10.8215
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 5 1 #Down
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 10 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 11 17 1
21 7 18 1
22 17 19 1 #Down
23 16 20 1 #Up
24 20 21 1
25 15 22 1 #Up
26 12 22 1 #Up
27 9 23 1
28 22 23 1
29 23 24 1 #Down
30 24 25 1
31 25 26 1
32 25 27 2
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