ATOM 22
1 C1z C 33.7620 -17.8327
2 C1y C 33.7647 -19.2286
3 C1x C 32.6769 -20.1108
4 C1y C 31.3194 -19.8109
5 C1y C 32.6534 -16.9631
6 N1x N 30.6933 -18.5559
7 C1x C 31.2914 -17.2885
8 C1x C 34.9785 -19.9263
9 C1x C 36.1896 -19.2239
10 C1y C 36.1869 -17.8280
11 C1y C 34.9731 -17.1303
12 C1y C 37.3979 -17.1256
13 C1z C 37.3952 -15.7256
14 C1x C 36.1814 -15.0280
15 C1x C 34.9703 -15.7303
16 C1x C 38.7303 -17.5556
17 C1y C 39.5509 -16.4214
18 C1x C 38.7258 -15.2904
19 C1a C 37.3952 -14.3256
20 O1a O 40.9496 -16.4186
21 C1a C 33.7620 -16.4327
22 O2x O 32.6534 -18.3631
BOND 26
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 1 11 1
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 11 15 1
18 12 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 13 19 1 #Up
23 17 20 1 #Up
24 1 21 1 #Up
25 5 22 1 #Down
26 4 22 1 #Down
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