ATOM 35
1 C1y C 14.4900 -15.4000
2 C1y C 14.4900 -16.8000
3 C1y C 15.6800 -17.5000
4 C1y C 16.9400 -16.8000
5 C1y C 16.9400 -15.4000
6 O2x O 15.6800 -14.7000
7 O1a O 15.6800 -18.9000
8 C6a C 13.3000 -14.7000
9 O6a O 12.1100 -15.4000
10 O2a O 18.4800 -14.5600
11 O2a O 18.3400 -17.6400
12 O6a O 13.3000 -13.3000
13 C1y C 20.0900 -12.2500
14 C1y C 20.0900 -13.6500
15 C1y C 21.2800 -14.3500
16 C1y C 22.5400 -13.6500
17 C1y C 22.5400 -12.2500
18 O2x O 21.2800 -11.5500
19 O2a O 21.2800 -15.7500
20 C1b C 18.9000 -11.5500
21 O2a O 23.7300 -11.5500
22 N1a N 23.7300 -14.3500
23 R R 26.8800 -11.5500
24 O2a O 13.2747 -17.4951
25 R R 10.4524 -17.4827
26 O2a O 17.6819 -12.2401
27 S4a S 18.3400 -19.0400
28 S4a S 21.2800 -17.1500
29 O1d O 22.6800 -17.1500
30 O1d O 21.2800 -18.5500
31 O1d O 19.8800 -17.1500
32 O1d O 19.7400 -19.0400
33 O1d O 18.3400 -20.4400
34 O1d O 16.9400 -19.0400
35 Z R# 15.5205 -12.2450
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1 #Up
8 1 8 1 #Down
9 8 9 1
10 5 10 1 #Up
11 4 11 1 #Down
12 8 12 2
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 13 18 1
19 15 19 1 #Up
20 13 20 1 #Up
21 14 10 1 #Down
22 17 21 1 #Down
23 16 22 1 #Down
24 21 23 1
25 2 24 1 #Down
26 24 25 1
27 20 26 1
28 11 27 1
29 19 28 1
30 28 29 2
31 28 30 1
32 28 31 2
33 27 32 2
34 27 33 1
35 27 34 2
36 26 35 1
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