ATOM 29
1 C1c C 6.2300 -12.8800
2 C7a C 7.3500 -12.1100
3 C1b C 4.9700 -12.1800
4 N1a N 6.2300 -14.3500
5 O7a O 8.6100 -12.7400
6 O6a O 7.3500 -10.7100
7 S1a S 3.7800 -12.8800
8 N4y N 17.4583 -11.9179
9 C8y C 18.4394 -12.6187
10 C1y C 16.1268 -12.3384
11 C8x C 17.8788 -10.4462
12 C8y C 19.7009 -11.7077
13 N5x N 18.5796 -14.0904
14 O2x O 15.0055 -11.4273
15 C1y C 15.7063 -13.5999
16 N5x N 19.2804 -10.4462
17 C8y C 20.9623 -12.2683
18 C8x C 19.9111 -14.6511
19 C1y C 13.8842 -12.2683
20 C1y C 14.3046 -13.5999
21 O1a O 16.4071 -14.7212
22 N5x N 21.1025 -13.7400
23 N1a N 22.0136 -11.4273
24 C1b C 12.5526 -11.8478
25 O1a O 13.8842 -14.7912
26 O2b O 11.5014 -12.7589
27 P1b P 10.0998 -12.7589
28 O1c O 10.0998 -14.1605
29 O1c O 10.0998 -11.3573
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 2
6 3 7 1
7 8 9 1
8 10 8 1 #Up
9 8 11 1
10 9 12 2
11 9 13 1
12 10 14 1
13 10 15 1
14 11 16 2
15 12 17 1
16 13 18 2
17 14 19 1
18 15 20 1
19 15 21 1 #Down
20 17 22 2
21 17 23 1
22 19 24 1 #Up
23 20 25 1 #Down
24 24 26 1
25 26 27 1
26 27 28 1
27 27 29 2
28 12 16 1
29 18 22 1
30 19 20 1
31 5 27 1
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