ATOM 64
1 S4a S 30.8420 -14.5300
2 O1d O 30.8420 -13.1300
3 O1d O 30.8420 -15.9300
4 O1d O 29.4419 -14.5300
5 O1d O 32.2419 -14.5300
6 C1z C 18.3400 -17.4300
7 C8y C 17.2200 -16.6600
8 C1x C 19.6000 -16.6600
9 C7a C 17.9900 -18.6900
10 C8y C 17.2200 -15.2600
11 N4x N 16.1000 -17.2900
12 C1y C 19.6000 -15.4000
13 O7a O 16.5200 -19.1800
14 O6a O 18.8300 -19.7400
15 C8y C 14.9100 -15.2600
16 C1x C 16.4500 -14.1400
17 C8y C 14.9100 -16.6600
18 C1x C 18.4800 -14.7700
19 C1a C 15.6800 -20.5800
20 C8x C 13.7200 -14.6300
21 C1x C 17.2200 -13.1600
22 C8x C 13.7200 -17.2900
23 N1y N 18.4800 -13.5100
24 C8x C 12.6700 -15.2600
25 C8x C 12.6700 -16.6600
26 C1x C 19.6000 -12.7400
27 C1z C 20.7200 -13.3700
28 C1x C 20.7200 -14.5600
29 O1a O 21.9800 -12.6700
30 C1b C 21.9324 -14.0700
31 C1a C 21.9325 -15.4698
32 C1z C 25.9000 -19.6000
33 C1y C 27.0200 -18.9000
34 C1y C 25.9000 -20.8600
35 C1x C 25.0600 -18.4800
36 C1z C 28.1400 -19.6000
37 N1y N 27.0200 -17.5700
38 C1z C 27.0200 -21.5600
39 N1y N 24.7800 -21.5600
40 C8y C 23.6600 -20.8600
41 C1x C 25.6900 -17.5700
42 C1y C 28.1400 -20.8600
43 C2x C 29.3300 -18.9000
44 C1b C 29.2600 -20.2300
45 C1x C 28.1400 -16.9400
46 C7a C 27.9300 -22.6800
47 O1a O 26.5300 -23.4500
48 C1a C 24.7800 -22.8900
49 O7a O 31.5000 -22.1900
50 C2x C 29.3300 -17.5700
51 C1a C 30.3800 -19.6000
52 O7a O 27.9300 -24.0100
53 O6a O 29.2600 -22.1900
54 C1a C 29.1200 -24.7100
55 C1a C 33.9500 -22.1900
56 C7a C 32.6900 -21.4900
57 O6a O 32.6900 -20.0900
58 C8y C 23.6600 -19.6000
59 C8x C 22.5400 -18.9700
60 C8x C 22.5400 -21.5600
61 C8y C 21.4200 -19.6000
62 C8y C 21.4200 -20.9300
63 O2a O 20.3000 -21.5600
64 C1a C 19.1800 -20.9300
BOND 71
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 6 7 1
6 6 8 1
7 6 9 1 #Up
8 7 10 2
9 7 11 1
10 8 12 1
11 9 13 1
12 9 14 2
13 10 15 1
14 10 16 1
15 11 17 1
16 12 18 1 #Down
17 12 28 1
18 13 19 1
19 15 20 1
20 16 21 1
21 17 22 1
22 23 18 1 #Down
23 20 24 2
24 22 25 2
25 23 26 1
26 15 17 2
27 21 23 1
28 27 26 1
29 24 25 1
30 27 28 1
31 27 29 1 #Up
32 27 30 1 #Down
33 30 31 1
34 32 33 1
35 32 34 1
36 32 35 1 #Up
37 33 36 1
38 33 37 1
39 34 38 1
40 34 39 1
41 35 41 1
42 36 42 1
43 36 43 1
44 36 44 1 #Down
45 37 45 1
46 38 46 1 #Down
47 38 47 1 #Up
48 39 48 1
49 42 49 1 #Up
50 43 50 2
51 44 51 1
52 46 52 1
53 37 41 1
54 38 42 1
55 39 40 1
56 45 50 1
57 46 53 2
58 52 54 1
59 55 56 1
60 49 56 1
61 56 57 2
62 58 59 1
63 40 60 1
64 59 61 2
65 60 62 2
66 62 63 1
67 63 64 1
68 61 62 1
69 58 32 1
70 58 40 2
71 6 61 1 #Down
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