ATOM 27
1 C1y C 16.8700 -17.9200
2 C1y C 16.8700 -19.3200
3 C1y C 18.0824 -20.0200
4 C1y C 19.2949 -19.3200
5 C1y C 19.2949 -17.9200
6 O2x O 18.0824 -17.2200
7 C1b C 15.6576 -17.2200
8 O2a O 20.5260 -17.2090
9 O1a O 18.0824 -21.4198
10 O1a O 15.6576 -20.0200
11 O1a O 20.5260 -20.0310
12 O1a O 14.4621 -17.9104
13 C1b C 21.7224 -16.5200
14 C2c C 22.9349 -17.2200
15 C2b C 24.1473 -16.5200
16 C1b C 25.3597 -17.2200
17 N1b N 26.5722 -16.5200
18 C8y C 27.7846 -17.2200
19 C1a C 22.9349 -18.6198
20 C8y C 27.7846 -18.6200
21 C8y C 28.9970 -19.3200
22 N5x N 30.2095 -18.6200
23 C8x C 30.2095 -17.2200
24 N5x N 28.9970 -16.5200
25 N5x N 26.7442 -19.5568
26 C8x C 27.3136 -20.8358
27 N4x N 28.7060 -20.6894
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 5 8 1 #Up
9 3 9 1 #Up
10 2 10 1 #Down
11 4 11 1 #Down
12 7 12 1
13 8 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 1
18 17 18 1
19 14 19 1
20 18 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 18 24 2
26 20 25 1
27 25 26 2
28 26 27 1
29 21 27 1
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