ATOM 33
1 N4y N 9.6284 -5.3910
2 C8y C 10.6982 -6.1393
3 C1y C 8.3365 -5.8178
4 C8x C 10.1137 -3.9881
5 C8y C 11.9374 -5.2215
6 N5x N 10.6926 -7.5658
7 C1y C 7.9038 -7.0746
8 O2x O 7.1966 -4.9585
9 N5x N 11.5692 -3.9998
10 C8y C 13.2002 -5.7827
11 C8x C 12.0954 -8.1562
12 C1y C 6.5126 -7.0746
13 O1a O 8.5645 -8.2145
14 C1y C 6.0858 -5.7595
15 N5x N 13.2238 -7.2735
16 N1c N 14.3107 -4.9527
17 C1b C 4.7530 -5.3209
18 C1a C 15.5970 -5.5021
19 C1a C 14.2871 -3.5613
20 O1a O 3.7124 -6.2564
21 N1b N 5.6942 -8.2088
22 C5a C 6.3841 -9.4129
23 C1c C 5.6766 -10.6230
24 O5a O 7.7811 -9.3489
25 C1b C 6.3724 -11.8273
26 C8y C 7.7694 -11.8273
27 C8x C 8.4592 -13.0374
28 C8x C 8.4709 -10.6289
29 C8x C 9.8505 -13.0432
30 C8x C 9.8622 -10.6289
31 C8y C 10.5520 -11.8390
32 O1a O 11.9491 -11.8448
33 N1a N 4.2795 -10.6173
BOND 36
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 7 13 1 #Down
13 8 14 1
14 10 15 2
15 10 16 1
16 14 17 1 #Up
17 16 18 1
18 16 19 1
19 17 20 1
20 5 9 1
21 11 15 1
22 12 14 1
23 21 22 1
24 22 23 1
25 22 24 2
26 23 25 1
27 25 26 1
28 26 27 2
29 26 28 1
30 27 29 1
31 28 30 2
32 29 31 2
33 31 32 1
34 30 31 1
35 23 33 1 #Down
36 12 21 1 #Down
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