ATOM 51
1 C8y C 37.8942 -15.4865
2 C8x C 36.6848 -16.1779
3 C8x C 39.0974 -16.1779
4 S4a S 37.8535 -14.0968
5 C8x C 36.6848 -17.5673
6 C8x C 39.0974 -17.5673
7 O1d O 36.4637 -14.0968
8 O1d O 39.2489 -14.0968
9 O1d O 37.8477 -12.7073
10 C8y C 37.8942 -18.2774
11 C1a C 37.8999 -19.6671
12 N1y N 32.2417 -16.5642
13 C1y C 32.2360 -15.1768
14 C1y C 30.9239 -17.0006
15 C5x C 33.6116 -16.5642
16 C1x C 33.6116 -15.1768
17 S2x S 30.9182 -14.7536
18 C1z C 30.1117 -15.8798
19 C7a C 29.9378 -17.9806
20 O5x O 34.6047 -17.5457
21 C1a C 28.9041 -15.1596
22 C1a C 28.7650 -16.2336
23 O7a O 28.5852 -17.6152
24 O6a O 30.2935 -19.3218
25 C5a C 18.0070 -15.1308
26 C1c C 16.7923 -14.4424
27 O5a O 18.0349 -16.4273
28 C8y C 15.6079 -15.1501
29 N1a N 16.7787 -13.0371
30 C8x C 15.6043 -16.5538
31 C8x C 14.3970 -14.4486
32 C8x C 14.3884 -17.2563
33 C8x C 13.2316 -15.1443
34 C8x C 13.2216 -16.5499
35 N1b N 19.2048 -14.4301
36 N1y N 21.8261 -16.5642
37 C1y C 21.8319 -15.1768
38 C1y C 23.1440 -17.0006
39 C5x C 20.4561 -16.5642
40 C1y C 20.4561 -15.1768
41 S2x S 23.1498 -14.7536
42 C1z C 23.9559 -15.8798
43 C7a C 24.1299 -17.9806
44 O5x O 19.4631 -17.5457
45 C1a C 25.1636 -15.1596
46 C1a C 25.3028 -16.2336
47 O7a O 25.4826 -17.6152
48 C1b C 27.0373 -18.3067
49 O6a O 23.7740 -19.3218
50 O1d O 29.7114 -14.0556
51 O1d O 30.9097 -13.3618
BOND 55
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 2
7 4 8 2
8 4 9 1
9 5 10 1
10 10 11 1
11 6 10 2
12 25 26 1
13 25 27 2
14 26 28 1
15 26 29 1 #Up
16 28 30 1
17 28 31 2
18 30 32 2
19 31 33 1
20 32 34 1
21 33 34 2
22 25 35 1
23 13 16 1
24 13 17 1
25 14 18 1
26 14 19 1 #Up
27 15 20 2
28 18 21 1
29 18 22 1
30 19 23 1
31 15 16 1
32 17 18 1
33 12 13 1
34 12 14 1
35 37 40 1
36 37 41 1
37 38 42 1
38 38 43 1 #Down
39 39 44 2
40 42 45 1
41 42 46 1
42 43 47 1
43 47 48 1
44 39 40 1
45 41 42 1
46 36 37 1
47 36 38 1
48 36 39 1
49 40 35 1 #Up
50 12 15 1
51 43 49 2
52 48 23 1
53 17 50 2
54 19 24 2
55 17 51 2
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