ATOM 21
1 C1y C 27.0335 -18.8861
2 C1y C 27.7527 -17.9883
3 C1x C 28.0021 -19.7405
4 C1y C 28.8783 -18.7033
5 C1y C 29.6880 -17.8607
6 C1x C 30.7261 -18.7196
7 C1b C 30.0882 -16.5237
8 C8y C 23.9818 -18.2538
9 N4x N 25.1199 -19.8554
10 C8y C 23.9832 -19.4595
11 C8x C 22.9339 -17.6445
12 C8x C 22.9339 -20.0689
13 C8x C 21.8878 -18.2538
14 C8x C 21.8878 -19.4595
15 C8y C 25.8319 -18.8747
16 C8y C 25.1411 -17.8971
17 C1x C 25.4800 -16.7343
18 C1x C 26.5923 -16.2733
19 N1y N 27.7097 -16.8604
20 C1x C 28.5163 -15.2298
21 C1a C 31.4484 -16.2013
BOND 25
1 3 4 1
2 5 6 1
3 1 2 1
4 1 3 1
5 2 5 1
6 16 8 1
7 15 9 1
8 8 10 2
9 8 11 1
10 10 12 1
11 11 13 2
12 12 14 2
13 9 10 1
14 13 14 1
15 15 16 2
16 16 17 1
17 15 1 1
18 17 18 1
19 18 19 1
20 2 19 1
21 19 20 1 #Up
22 4 20 1 #Up
23 4 6 1
24 7 21 1
25 5 7 1 #Up
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