ATOM 47
1 N1y N 22.1552 -16.1088
2 C5a C 23.3683 -16.8070
3 C1b C 24.5813 -16.1017
4 C1c C 25.7942 -16.7999
5 C6a C 27.0002 -16.0947
6 O6a O 28.2132 -16.7929 #-
7 C1x C 22.0095 -14.7097
8 C1x C 20.8841 -16.6751
9 C1y C 19.9439 -15.6381
10 C1y C 20.6434 -14.4282
11 C1x C 19.9410 -13.2199
12 C1x C 18.5460 -13.2214
13 C1x C 17.8534 -14.4314
14 C1x C 18.5487 -15.6396
15 O5a O 23.3713 -18.2104
16 C1b C 25.7973 -18.2033
17 O6a O 26.9971 -14.6913
18 C8y C 27.0081 -18.8988
19 C8x C 27.0103 -20.2974
20 C8x C 28.2281 -21.0000
21 C8x C 29.4429 -20.2921
22 C8x C 29.4398 -18.8887
23 C8x C 28.2220 -18.1932
24 Z Ca 33.3685 -17.1737 #2+
25 N1y N 22.1552 -16.1088
26 C5a C 23.3683 -16.8070
27 O5a O 23.3713 -18.2104
28 C1b C 24.5813 -16.1017
29 C1c C 25.7942 -16.7999
30 C6a C 27.0002 -16.0947
31 O6a O 28.2132 -16.7929 #-
32 O6a O 26.9971 -14.6913
33 C1b C 25.7973 -18.2033
34 C8y C 27.0081 -18.8988
35 C8x C 27.0103 -20.2974
36 C8x C 28.2281 -21.0000
37 C8x C 29.4429 -20.2921
38 C8x C 29.4398 -18.8887
39 C8x C 28.2220 -18.1932
40 C1x C 22.0095 -14.7097
41 C1y C 20.6434 -14.4282
42 C1y C 19.9439 -15.6381
43 C1x C 18.5487 -15.6396
44 C1x C 17.8534 -14.4314
45 C1x C 18.5460 -13.2214
46 C1x C 19.9410 -13.2199
47 C1x C 20.8841 -16.6751
BOND 50
1 4 5 1
2 1 2 1
3 5 6 1
4 9 10 1
5 10 11 1
6 11 12 1
7 12 13 1
8 13 14 1
9 14 9 1
10 2 15 2
11 2 3 1
12 4 16 1 #Up
13 1 7 1
14 5 17 2
15 7 10 1
16 16 18 1
17 9 8 1
18 8 1 1
19 3 4 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 18 1
26 29 30 1
27 25 26 1
28 30 31 1
29 42 41 1
30 41 46 1
31 46 45 1
32 45 44 1
33 44 43 1
34 43 42 1
35 26 27 2
36 26 28 1
37 29 33 1 #Up
38 25 40 1
39 30 32 2
40 40 41 1
41 33 34 1
42 42 47 1
43 47 25 1
44 28 29 1
45 34 35 2
46 35 36 1
47 36 37 2
48 37 38 1
49 38 39 2
50 39 34 1
BRACKET 1 17.0800 -21.7000 17.0800 -12.3200
1 30.1700 -12.3200 30.1700 -21.7000
1 2
ORIGINAL 1 1 2 15 3 4 5 6 17 16 18 19 20 21 22 23 7
1 10 24 9 25 14 13 12 11 8
REPEAT 1 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42
1 43 44 45 46 47 48 49 50 51
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