ATOM 28
1 R R 24.2119 -20.6552
2 O2b O 26.0026 -20.6591
3 P1b P 27.3836 -20.6523
4 O2c O 28.7511 -20.6523
5 O1c O 27.3836 -22.0198
6 O1c O 27.3836 -19.2848
7 P1b P 30.1186 -20.6523
8 O2b O 31.4862 -20.6523
9 O1c O 30.1186 -22.0198
10 O1c O 30.1186 -19.2848
11 C1b C 32.8602 -20.6523
12 C1y C 34.1611 -21.0593
13 O2x O 35.2684 -20.2588
14 C1y C 34.5947 -22.3667
15 C1y C 36.4024 -21.0792
16 C1y C 35.9890 -22.3667
17 O1a O 33.8142 -23.4808
18 N4y N 37.2765 -18.7845
19 O1a O 36.7961 -23.4675
20 C8y C 35.9689 -18.3576
21 C8x C 38.0702 -17.6704
22 C8y C 35.9757 -16.9899
23 N5x N 34.7681 -19.0447
24 N5x N 37.2765 -16.5764
25 C8y C 34.7882 -16.2829
26 C8x C 33.6142 -18.2975
27 N5x N 33.5807 -16.9766
28 N1a N 34.7948 -15.0545
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1
5 3 6 2
6 4 7 1
7 7 8 1
8 7 9 1
9 7 10 2
10 8 11 1
11 12 11 1 #Up
12 12 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 14 17 1 #Down
17 15 18 1 #Up
18 16 19 1 #Down
19 18 20 1
20 18 21 1
21 20 22 2
22 20 23 1
23 21 24 2
24 22 25 1
25 23 26 2
26 25 27 2
27 25 28 1
28 15 16 1
29 22 24 1
30 26 27 1
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