ATOM 58
1 C8x C 10.2200 -20.0900
2 C8y C 10.2200 -21.4900
3 C8x C 11.4324 -22.1900
4 C8x C 12.6449 -21.4900
5 C8y C 12.6449 -20.0900
6 C8x C 11.4324 -19.3900
7 X Cl 9.0076 -22.1900
8 C1b C 13.8824 -19.3900
9 C1b C 15.0949 -20.0900
10 C1b C 16.3073 -19.3900
11 C1z C 17.5215 -20.0864
12 O2x O 17.9687 -21.4092
13 C1x C 19.3650 -21.3927
14 C1z C 19.7808 -20.0596
15 N1y N 18.6414 -19.2523
16 C1a C 20.9932 -19.3596
17 C1a C 20.7707 -21.0496
18 C5a C 18.6249 -17.8500
19 O5a O 17.4005 -17.1623
20 N4y N 19.8253 -17.1379
21 C8x C 21.1023 -17.6885
22 N5x N 22.0206 -16.6443
23 C8x C 21.3112 -15.4482
24 C8x C 19.9545 -15.7533
25 C1a C 16.5315 -21.0763
26 C6a C 27.5100 -20.3000
27 C2b C 28.7224 -19.6000
28 C2b C 29.9349 -20.3000
29 C6a C 31.1473 -19.6000
30 O6a O 32.3597 -20.3000
31 O6a O 26.2976 -19.6000
32 O6a O 27.5100 -21.7000
33 O6a O 31.1473 -18.2000
34 C8x C 10.2200 -20.0900
35 C8y C 10.2200 -21.4900
36 C8x C 11.4324 -22.1900
37 C8x C 12.6449 -21.4900
38 C8y C 12.6449 -20.0900
39 C8x C 11.4324 -19.3900
40 C1b C 13.8824 -19.3900
41 C1b C 15.0949 -20.0900
42 C1b C 16.3073 -19.3900
43 C1z C 17.5215 -20.0864
44 O2x O 17.9687 -21.4092
45 C1x C 19.3650 -21.3927
46 C1z C 19.7808 -20.0596
47 N1y N 18.6414 -19.2523
48 C5a C 18.6249 -17.8500
49 O5a O 17.4005 -17.1623
50 N4y N 19.8253 -17.1379
51 C8x C 21.1023 -17.6885
52 N5x N 22.0206 -16.6443
53 C8x C 21.3112 -15.4482
54 C8x C 19.9545 -15.7533
55 C1a C 20.9932 -19.3596
56 C1a C 20.7707 -21.0496
57 C1a C 16.5315 -21.0763
58 X Cl 9.0076 -22.1900
BOND 61
1 26 27 1
2 27 28 2
3 28 29 1
4 29 30 1
5 26 31 1
6 26 32 2
7 29 33 2
8 1 2 2
9 2 3 1
10 3 4 2
11 4 5 1
12 5 6 2
13 1 6 1
14 2 7 1
15 5 8 1
16 8 9 1
17 9 10 1
18 10 11 1
19 11 12 1
20 12 13 1
21 13 14 1
22 14 15 1
23 11 15 1
24 14 16 1
25 14 17 1
26 15 18 1
27 18 19 2
28 18 20 1
29 20 21 1
30 21 22 2
31 22 23 1
32 23 24 2
33 20 24 1
34 11 25 1
35 34 35 2
36 35 36 1
37 36 37 2
38 37 38 1
39 38 39 2
40 34 39 1
41 35 58 1
42 38 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 46 47 1
50 43 47 1
51 46 55 1
52 46 56 1
53 47 48 1
54 48 49 2
55 48 50 1
56 50 51 1
57 51 52 2
58 52 53 1
59 53 54 2
60 50 54 1
61 43 57 1
BRACKET 1 8.4000 -22.5400 8.4000 -16.2400
1 23.1000 -16.2400 23.1000 -22.5400
1 2
ORIGINAL 1 1 2 3 4 5 6 8 9 10 11 12 13 14 15 18 19
1 20 21 22 23 24 16 17 25 7
REPEAT 1 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49
1 50 51 52 53 54 55 56 57 58
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