ATOM 73
1 N1b N 27.7200 -10.8488
2 C7a C 28.5882 -10.1977
3 O7a O 29.6733 -10.8488
4 C2y C 25.9115 -11.1382
5 C1b C 20.4132 -12.1510
6 C2b C 21.5708 -11.3552
7 S3a S 19.3281 -11.4275
8 C1z C 24.1752 -10.7041
9 C1x C 24.9710 -9.9083
10 C5x C 26.2007 -9.9083
11 C2y C 22.8729 -11.3552
12 C2y C 24.6093 -12.0063
13 O5x O 27.2135 -9.0402
14 O1a O 22.8729 -9.9807
15 C0 C 26.2007 -11.6446
16 C1y C 23.7411 -12.8744
17 C0 C 24.9710 -13.2361
18 C0 C 26.1284 -13.6702
19 C2x C 27.5030 -14.1043
20 C2x C 27.8647 -13.1638
21 C0 C 27.0689 -12.2233
22 S3a S 18.1706 -12.1510
23 S3a S 17.0854 -11.4275
24 C1a C 15.9280 -12.1510
25 O2a O 23.7411 -14.3936
26 C1y C 22.2943 -15.1894
27 O6a O 28.5882 -8.7508
28 C1a C 30.8307 -10.1977
29 C1y C 19.7622 -15.1894
30 C1y C 19.7622 -16.6363
31 C1y C 20.9921 -17.3597
32 C1y C 22.2943 -16.6363
33 O2x O 20.9921 -14.4660
34 O2a O 23.5241 -17.3597
35 O1a O 20.9921 -18.8066
36 N1b N 18.5323 -17.3597
37 O2a O 17.3026 -16.6363
38 C1a C 18.5323 -14.4660
39 C1y C 16.0969 -17.3192
40 O2x O 14.9028 -16.6164
41 C1y C 13.6829 -17.3072
42 C1y C 13.6712 -18.7090
43 C1y C 14.8653 -19.4118
44 C1x C 16.0851 -18.7210
45 C1a C 12.4648 -16.5902
46 S2a S 12.4421 -19.4050
47 O1a O 14.8535 -20.8209
48 C5a C 11.2588 -18.7084
49 C8y C 10.0531 -19.3913
50 O5a O 11.2706 -17.3107
51 C8y C 8.8805 -18.7012
52 C8y C 7.6609 -19.3919
53 C8y C 7.6492 -20.7933
54 C8y C 8.8218 -21.4834
55 C8y C 10.1114 -20.7927
56 C1a C 8.8922 -17.3107
57 X I 6.4435 -18.6752
58 O1a O 6.4099 -21.4950
59 O2a O 8.8098 -22.9168
60 O2a O 11.2409 -21.4989
61 C1a C 12.4294 -20.8260
62 C1a C 10.0300 -23.6351
63 C1y C 23.5241 -18.7597
64 O2x O 22.3085 -19.4616
65 C1x C 22.3085 -20.8616
66 C1y C 23.5209 -21.5615
67 C1y C 24.7365 -20.8597
68 C1x C 24.7365 -19.4597
69 O2a O 25.9290 -21.5485
70 N1b N 23.5209 -22.9600
71 C1b C 22.3078 -23.6604
72 C1a C 22.3077 -25.0598
73 C1a C 25.9291 -22.9597
BOND 78
1 10 4 1
2 18 19 1
3 5 6 1
4 19 20 2
5 7 22 1
6 22 23 1
7 15 21 3
8 23 24 1
9 16 25 1 #Down
10 8 11 1
11 20 21 1
12 11 6 2
13 11 12 1
14 1 2 1
15 4 12 2
16 5 7 1
17 10 13 2
18 4 1 1
19 8 14 1 #Down
20 8 15 1
21 26 25 1 #Up
22 8 9 1
23 12 16 1
24 2 3 1
25 16 17 1
26 9 10 1
27 2 27 2
28 3 28 1
29 17 18 3
30 29 30 1
31 30 31 1
32 31 32 1
33 32 26 1
34 29 33 1
35 32 34 1 #Down
36 31 35 1 #Up
37 30 36 1 #Down
38 36 37 1
39 29 38 1 #Up
40 33 26 1
41 39 37 1 #Up
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
47 39 44 1
48 41 45 1 #Up
49 42 46 1 #Down
50 43 47 1 #Down
51 46 48 1
52 48 49 1
53 48 50 2
54 49 51 2
55 51 52 1
56 52 53 2
57 53 54 1
58 54 55 2
59 49 55 1
60 51 56 1
61 52 57 1
62 53 58 1
63 54 59 1
64 55 60 1
65 60 61 1
66 59 62 1
67 63 34 1 #Up
68 63 64 1
69 64 65 1
70 65 66 1
71 66 67 1
72 67 68 1
73 63 68 1
74 67 69 1 #Down
75 66 70 1 #Up
76 70 71 1
77 71 72 1
78 69 73 1
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