ATOM 50
1 C8y C 33.1100 -23.5900
2 C2b C 33.1100 -24.9900
3 C2b C 34.3000 -25.6900
4 C1a C 35.5600 -24.9900
5 C2b C 34.3000 -27.0900
6 C2b C 35.5600 -27.7200
7 C1c C 36.7500 -27.0900
8 C1c C 36.7500 -25.6900
9 N5x N 34.2300 -22.7500
10 C8y C 33.8100 -21.4900
11 O2x O 32.4100 -21.4900
12 C8x C 32.0600 -22.7500
13 C1c C 34.6500 -20.3700
14 C1c C 34.6500 -18.9700
15 C1b C 35.8400 -18.2700
16 C1c C 37.1000 -18.9700
17 C2b C 38.2200 -18.2700
18 C2b C 39.4100 -18.9700
19 C2b C 40.6700 -18.2700
20 C2b C 41.7900 -18.9700
21 C2b C 42.9100 -18.2700
22 C2b C 44.1700 -18.9700
23 C1a C 35.9800 -20.7900
24 O2a O 33.4600 -18.2700
25 O1a O 37.1000 -20.3700
26 C1c C 44.1700 -20.3700
27 C1a C 42.9800 -21.0700
28 C1c C 45.3600 -21.0700
29 O7a O 45.3600 -22.4000
30 C7a C 46.4100 -23.7300
31 C2b C 37.4500 -24.5000
32 C2c C 38.7800 -24.5000
33 C1a C 39.4800 -25.6900
34 C2b C 39.4800 -23.3100
35 C2b C 40.8800 -23.3100
36 C2b C 41.5100 -24.5000
37 C2b C 42.8400 -24.5000
38 C2b C 43.5400 -25.6900
39 C2b C 44.9400 -25.6900
40 O6a O 47.8100 -23.7300
41 O1a O 37.9400 -27.7200
42 C1c C 46.5500 -20.3700
43 C1c C 47.7400 -21.0700
44 C1b C 48.9300 -20.3700
45 C1c C 50.0500 -21.0700
46 C1a C 51.3100 -20.3700
47 C1a C 46.5500 -18.9700
48 O1a O 47.7400 -22.4000
49 O1a O 50.0500 -22.4000
50 C1a C 32.2419 -18.9601
BOND 51
1 1 2 1
2 2 3 2
3 3 5 1
4 5 6 2
5 6 7 1
6 7 8 1
7 4 8 1
8 1 9 1
9 9 10 2
10 10 11 1
11 11 12 1
12 1 12 2
13 10 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 13 23 1
24 14 24 1
25 16 25 1
26 22 26 1
27 26 27 1
28 26 28 1
29 28 29 1
30 29 30 1
31 31 32 2
32 32 33 1
33 32 34 1
34 34 35 2
35 35 36 1
36 36 37 2
37 37 38 1
38 38 39 2
39 31 8 1
40 30 39 1
41 30 40 2
42 7 41 1
43 28 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 42 47 1
49 43 48 1
50 45 49 1
51 24 50 1
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