ATOM 22
1 C8y C 26.4028 -20.2333
2 C8y C 26.3682 -21.5854
3 C8x C 24.0031 -20.1875
4 C8x C 24.0427 -21.5328
5 C8x C 25.1958 -22.2284
6 C8x C 25.2568 -19.5379
7 C1y C 29.8162 -20.8320
8 C1y C 30.3379 -19.4495
9 C1x C 29.5319 -18.5192
10 C1y C 28.3285 -18.5473
11 N1y N 27.1716 -17.6645
12 C1x C 26.0226 -18.3626
13 C1x C 26.3313 -19.6684
14 C1y C 30.8411 -18.2049
15 C1x C 28.2370 -16.8455
16 C1y C 28.4815 -20.8572
17 C1z C 27.6696 -19.7962
18 N1x N 27.7201 -21.9619
19 C1b C 30.2804 -21.9483
20 O1a O 31.6028 -22.1782
21 C1b C 32.0000 -18.8721
22 C1a C 31.9929 -20.2177
BOND 26
1 10 11 1
2 11 12 1
3 12 13 1
4 17 13 1 #Up
5 8 14 1
6 1 2 2
7 11 15 1
8 15 14 1
9 3 4 1
10 16 7 1
11 7 8 1
12 16 17 1
13 17 1 1
14 2 18 1
15 18 16 1
16 8 9 1
17 7 19 1 #Down
18 9 10 1
19 19 20 1
20 4 5 2
21 14 21 1 #Up
22 5 2 1
23 21 22 1
24 1 6 1
25 6 3 2
26 17 10 1
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