ATOM 27
1 N4y N 27.7035 -17.3462
2 C8y C 28.7678 -18.0832
3 C1y C 26.4108 -17.7616
4 C8x C 28.1772 -15.9484
5 C8y C 30.0019 -17.1766
6 N5x N 28.9023 -19.5044
7 O2x O 25.2703 -16.9135
8 C1y C 25.9839 -19.0132
9 N5x N 29.6276 -15.9542
10 C8y C 31.2537 -17.7265
11 C8x C 30.2243 -20.0951
12 C1y C 24.1707 -17.7031
13 C1y C 24.5977 -19.0132
14 O1a O 26.3932 -20.3467
15 N5x N 31.4173 -19.2120
16 N1a N 32.3590 -16.9076
17 O1a O 24.1531 -20.3409
18 C1b C 22.9376 -17.0100
19 C1c C 21.7251 -17.7100
20 C1b C 20.5127 -17.0100
21 C1b C 19.3003 -17.7100
22 C1c C 18.0878 -17.0100
23 C6a C 16.8754 -17.7100
24 O6a O 15.6630 -17.0100
25 N1a N 21.7251 -19.1098
26 N1a N 18.0878 -15.6103
27 O6a O 16.8754 -19.1100
BOND 29
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 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 13 17 1 #Down
17 5 9 1
18 11 15 1
19 12 13 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 12 18 1 #Up
27 19 25 1 #Up
28 22 26 1 #Up
29 23 27 2
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