ATOM 21
1 C1z C 29.3300 -17.5700
2 C8y C 29.3300 -16.2400
3 C1y C 30.5900 -18.2700
4 C1a C 28.2100 -18.2000
5 C1x C 30.5900 -16.9400
6 C8x C 28.2100 -15.6100
7 C8y C 30.5900 -15.6100
8 C1y C 31.7100 -17.5700
9 C1x C 32.8300 -16.9400
10 C8y C 28.2100 -14.2800
11 C1x C 31.7100 -16.3100
12 C8x C 30.5900 -14.2800
13 N1y N 32.8300 -18.2700
14 C8x C 29.4000 -13.5800
15 O1a O 27.0900 -13.5800
16 C1b C 34.2300 -18.2700
17 C2b C 35.0000 -19.5300
18 C1a C 30.5900 -19.7400
19 C2c C 36.4000 -19.5300
20 C1a C 37.1000 -20.7900
21 C1a C 37.1000 -18.2700
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 5 9 1
9 6 10 1
10 7 11 1
11 7 12 2
12 8 13 1 #Up
13 10 14 2
14 10 15 1
15 8 11 1
16 9 13 1
17 12 14 1
18 13 16 1
19 16 17 1
20 3 18 1 #Down
21 17 19 2
22 19 20 1
23 19 21 1
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