ATOM 65
1 C1y C 21.3500 -17.3600
2 O2x O 22.5400 -16.5200
3 C1y C 21.7700 -18.6900
4 C1y C 23.6600 -17.3600
5 C1y C 23.1700 -18.6900
6 O1a O 20.9300 -19.8100
7 C1b C 24.9200 -16.9400
8 O1a O 24.0100 -19.8100
9 O2b O 25.7600 -18.0600
10 P1b P 27.1600 -18.0600
11 O2c O 28.5600 -18.0600
12 O1c O 27.1600 -19.4600
13 O1c O 27.2300 -16.6600
14 P1b P 29.9600 -18.0600
15 O2c O 31.3600 -18.0600
16 P1b P 32.7600 -18.0600
17 O1c O 34.1600 -18.0600
18 O1c O 32.7600 -16.6600
19 O1c O 29.9600 -16.6600
20 O1c O 32.7600 -19.4600
21 O1c O 29.9600 -19.4600
22 N4y N 19.0400 -12.8800
23 C1y C 18.4800 -15.1200
24 C8y C 16.8000 -12.8800
25 C8x C 19.0400 -11.6200
26 O2x O 17.4300 -14.3500
27 C1y C 18.1300 -16.3100
28 C8y C 16.8000 -11.6200
29 N5x N 15.6800 -13.5800
30 N5x N 17.9200 -10.9900
31 C1y C 16.3800 -15.1200
32 C1y C 16.8000 -16.3100
33 O2a O 19.1800 -17.2200
34 C8y C 15.6800 -10.9900
35 C8x C 14.5600 -12.8800
36 C1b C 15.2600 -14.7700
37 N5x N 14.5600 -11.6200
38 N1a N 15.6800 -9.8000
39 O2b O 13.5800 -15.6100
40 P1b P 11.4800 -15.6100
41 O2c O 11.4800 -18.3400
42 O1c O 11.4800 -14.2100
43 O1c O 10.2200 -15.6100
44 P1b P 11.4800 -21.0000
45 O2b O 12.8100 -21.0000
46 O1c O 11.4800 -22.5400
47 O1c O 10.1500 -21.0000
48 C1b C 13.8600 -20.3700
49 C1d C 14.9800 -21.0000
50 C1c C 16.1000 -20.3700
51 C1a C 14.9800 -22.1200
52 C1a C 14.9800 -19.7400
53 C5a C 17.2200 -21.0000
54 O1a O 16.1000 -19.3200
55 N1b N 18.2700 -20.3700
56 O5a O 17.2200 -22.1900
57 C1b C 19.3900 -21.0000
58 C1b C 20.5100 -20.3700
59 C5a C 21.6300 -21.0000
60 N1b N 22.6800 -20.3700
61 O5a O 21.6300 -22.2600
62 C1b C 23.8000 -21.0000
63 C1b C 24.9200 -20.3700
64 S1a S 26.0400 -21.0000
65 O1a O 16.0300 -17.4300
BOND 68
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 1 #Up
6 4 7 1 #Down
7 5 8 1 #Up
8 7 9 1
9 9 10 1
10 10 11 1
11 10 12 1
12 10 13 2
13 4 5 1
14 11 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 16 18 2
19 14 19 2
20 16 20 1
21 14 21 1
22 23 22 1 #Up
23 22 24 1
24 22 25 1
25 23 26 1
26 23 27 1
27 24 28 2
28 24 29 1
29 25 30 2
30 26 31 1
31 27 32 1
32 27 33 1 #Down
33 28 34 1
34 29 35 2
35 31 36 1 #Up
36 34 37 2
37 34 38 1
38 36 39 1
39 39 40 1
40 40 41 1
41 40 42 1
42 40 43 2
43 41 44 1
44 44 45 1
45 44 46 1
46 44 47 2
47 45 48 1
48 48 49 1
49 49 50 1
50 49 51 1
51 49 52 1
52 50 53 1
53 50 54 1
54 53 55 1
55 53 56 2
56 55 57 1
57 57 58 1
58 58 59 1
59 59 60 1
60 59 61 2
61 60 62 1
62 62 63 1
63 63 64 1
64 28 30 1
65 31 32 1
66 35 37 1
67 32 65 1 #Down
68 1 33 1 #Up
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