ATOM 50
1 C1y C 24.3326 -19.2066
2 C1y C 24.3326 -20.6080
3 C1y C 25.5239 -21.3087
4 O7x O 26.7851 -20.6080
5 C1y C 25.5239 -18.5059
6 C2x C 26.7851 -16.4039
7 C2x C 25.5239 -17.1046
8 C1y C 29.1675 -16.4039
9 C1x C 29.1675 -15.0025
10 C1y C 27.9763 -14.3018
11 C5x C 26.7851 -15.0025
12 C2x C 29.1675 -19.2066
13 C1y C 30.4287 -18.5059
14 C1y C 30.4287 -17.1046
15 C7x C 27.9763 -21.3087
16 C2x C 29.1675 -20.6080
17 O5x O 25.5939 -14.3018
18 O2x O 24.3326 -17.8052
19 C1b C 25.5239 -22.7101
20 C1a C 24.3326 -23.4108
21 O6a O 27.9763 -22.7101
22 C1a C 31.6199 -19.2066
23 C1a C 27.9763 -17.1046
24 C1a C 27.9763 -12.9004
25 C1b C 23.1414 -21.3087
26 O2a O 21.9503 -20.6080
27 C1y C 20.7591 -21.3087
28 C1y C 18.3067 -21.3087
29 C1y C 18.3067 -22.7101
30 C1y C 19.4979 -23.4108
31 C1y C 20.7591 -22.7101
32 O2x O 19.4979 -20.6080
33 C1a C 17.1155 -20.6080
34 O1a O 17.1155 -23.4108
35 O2a O 19.4979 -24.8121
36 O2a O 22.0204 -23.4108
37 C1a C 22.0204 -24.8121
38 C1a C 18.3067 -25.5129
39 O2a O 31.6199 -16.4039
40 C1y C 33.0213 -16.4039
41 C1y C 33.7220 -17.5951
42 C1y C 35.1234 -17.5951
43 C1x C 35.8240 -16.4039
44 C1y C 35.1234 -15.1426
45 O2x O 33.7220 -15.1426
46 C1a C 35.8341 -13.9348
47 N1c N 35.8191 -18.8116
48 O1a O 33.0262 -18.8116
49 C1a C 37.2252 -18.8174
50 C1a C 35.1256 -20.0011
BOND 53
1 1 2 1
2 2 3 1
3 3 4 1
4 1 5 1
5 6 7 2
6 5 7 1
7 8 9 1
8 9 10 1
9 10 11 1
10 6 11 1
11 12 13 1
12 13 14 1
13 14 8 1
14 4 15 1
15 15 16 1
16 12 16 2
17 11 17 2
18 1 18 1 #Up
19 5 18 1 #Up
20 3 19 1 #Down
21 19 20 1
22 15 21 2
23 13 22 1 #Up
24 8 23 1 #Up
25 10 24 1 #Down
26 2 25 1 #Up
27 25 26 1
28 27 26 1 #Up
29 28 29 1
30 29 30 1
31 30 31 1
32 31 27 1
33 27 32 1
34 28 32 1
35 28 33 1 #Up
36 29 34 1 #Down
37 30 35 1 #Down
38 31 36 1 #Down
39 36 37 1
40 35 38 1
41 14 39 1 #Down
42 40 39 1 #Down
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 40 1
48 41 40 1
49 44 46 1 #Down
50 42 47 1 #Down
51 41 48 1 #Up
52 47 49 1
53 47 50 1
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