ATOM 28
1 C1z C 25.7438 -21.1986
2 C1x C 25.7669 -18.8901
3 C1x C 24.9224 -20.0395
4 C8x C 21.9346 -21.6290
5 C8x C 21.9346 -23.0523
6 C8x C 23.1669 -23.7710
7 C8x C 23.1669 -20.9173
8 C8y C 24.3921 -21.6290
9 C8y C 24.3912 -23.0461
10 N1x N 25.7400 -23.4831
11 C5x C 26.5781 -22.3458
12 N1y N 27.1212 -19.3511
13 C1y C 27.0990 -20.7761
14 C1x C 28.3259 -21.5079
15 C1x C 28.3704 -18.6575
16 C1y C 29.5203 -19.3894
17 C1y C 29.5656 -20.8113
18 C2c C 30.7884 -21.5437
19 C2b C 32.0179 -20.8259
20 C7a C 30.7776 -22.9537
21 O7a O 31.9965 -23.6654
22 C1a C 31.9896 -25.0816
23 O6a O 29.5375 -23.6584
24 O2a O 32.0108 -19.4025
25 C1a C 33.2368 -18.6838
26 C1b C 30.8199 -18.6696
27 C1a C 30.8130 -17.2463
28 O5x O 27.5646 -23.1932
BOND 31
1 13 14 1
2 14 17 1
3 16 15 1
4 15 12 1
5 8 7 1
6 7 4 2
7 3 1 1
8 16 17 1
9 17 18 1
10 18 19 2
11 1 13 1
12 18 20 1
13 12 2 1
14 20 21 1
15 8 9 2
16 21 22 1
17 9 10 1
18 20 23 2
19 10 11 1
20 19 24 1
21 1 11 1 #Up
22 24 25 1
23 1 8 1 #Down
24 16 26 1 #Down
25 2 3 1
26 26 27 1
27 4 5 1
28 5 6 2
29 6 9 1
30 11 28 2
31 12 13 1
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