ATOM 66
1 C1y C -2.7724 0.4759
2 C1y C -2.5448 -0.2379
3 O2x O -2.1724 0.9138
4 C1b C -3.4828 0.7138
5 C1x C -1.7897 -0.2379
6 O2b O -2.9862 -0.8414
7 C1y C -1.5586 0.4759
8 O2b O -4.6621 1.4517
9 P1b P -2.9931 -1.5897
10 R R -0.8483 0.7138
11 P1b P -4.6655 2.1966
12 O2b O -2.9310 -2.3828
13 O1c O -3.7379 -1.5862
14 O1c O -2.2379 -1.5897
15 O2b O -4.6621 2.9483
16 O1c O -5.4172 2.2000
17 O1c O -3.9207 2.1966
18 C1b C -1.8931 -3.8862
19 C1y C -4.2241 3.5483
20 C1y C -1.1759 -4.1172
21 C1y C -4.4517 4.2586
22 C1x C -3.4724 3.5483
23 O2x O -0.5759 -3.6793
24 C1y C -0.9552 -4.8345
25 O2x O -3.8448 4.6897
26 C1b C -5.1621 4.4966
27 C1y C -3.2414 4.2586
28 C1y C 0.0310 -4.1172
29 C1x C -0.2000 -4.8345
30 O1a O -1.3931 -5.4379
31 O1a O -5.7172 3.9966
32 R R -2.5310 4.4966
33 R R 0.7379 -3.8862
34 C1y C 3.4034 0.2552
35 C1y C 3.1966 -0.3931
36 O2x O 2.8552 0.6517
37 C1b C 4.0483 0.4655
38 C1x C 2.5138 -0.3931
39 O2b O 3.5966 -0.9448
40 C1y C 2.3034 0.2552
41 O2b O 4.2000 1.0000
42 P1b P 3.6000 -1.6241
43 R R 1.0862 0.6793
44 P1b P 1.9379 1.9724
45 O2b O 3.6000 -2.4345
46 O1c O 4.2793 -1.6241
47 O1c O 2.9172 -1.6241
48 O2b O 1.9379 2.6517
49 O1c O 2.6172 1.9759
50 O1c O 1.2621 1.9724
51 C1b C 4.9034 -3.3759
52 C1y C 1.5310 3.2000
53 C1y C 4.2586 -3.5862
54 C1y C 1.7414 3.8448
55 C1x C 0.8517 3.2000
56 O2x O 3.7103 -3.1931
57 C1y C 4.0517 -4.2379
58 O2x O 1.1931 4.2448
59 C1b C 2.3828 4.0621
60 C1y C 0.6414 3.8448
61 C1y C 3.1517 -3.5862
62 C1x C 3.3655 -4.2379
63 O1a O 4.4517 -4.7897
64 O1a O 2.8931 3.6103
65 R R -0.7862 4.2310
66 R R 1.7690 -2.9931
BOND 70
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 6 9 1
9 7 10 1 #Up
10 8 11 1
11 9 12 1
12 9 13 1
13 9 14 2
14 11 15 1
15 11 16 1
16 11 17 2
17 12 18 1
18 19 15 1 #Down
19 20 18 1 #Up
20 19 21 1
21 19 22 1
22 20 23 1
23 20 24 1
24 21 25 1
25 21 26 1 #Up
26 22 27 1
27 23 28 1
28 24 29 1
29 24 30 1 #Down
30 26 31 1
31 27 32 1 #Up
32 28 33 1 #Up
33 34 35 1
34 34 36 1
35 34 37 1 #Down
36 35 38 1
37 35 39 1 #Up
38 36 40 1
39 37 41 1
40 39 42 1
41 40 43 1 #Down
42 41 44 1
43 42 45 1
44 42 46 1
45 42 47 2
46 44 48 1
47 44 49 1
48 44 50 2
49 45 51 1
50 52 48 1 #Up
51 53 51 1 #Down
52 52 54 1
53 52 55 1
54 53 56 1
55 53 57 1
56 54 58 1
57 54 59 1 #Down
58 55 60 1
59 56 61 1
60 57 62 1
61 57 63 1 #Up
62 59 64 1
63 60 65 1 #Down
64 61 66 1 #Down
65 5 7 1
66 25 27 1
67 28 29 1
68 38 40 1
69 58 60 1
70 61 62 1
BRACKET 1 -3.9690 0.6793 -3.9690 1.5000
1 -2.0000 -3.2517 -2.8379 -3.2517
1 n
ORIGINAL 1 1 2 3 4 5 6 7 9 10 12 13 14
REPEAT 1
2 3.0310 1.0207 3.0310 1.7483
2 4.3207 -2.5310 4.3207 -3.2621
2 n
ORIGINAL 2 34 35 36 37 38 39 40 41 42 43 45 46 47
REPEAT 2
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