ATOM 55
1 N1y N 29.7115 -22.4801
2 C1y C 28.5133 -21.7859
3 C5a C 28.5175 -19.3844
4 C1b C 27.1257 -19.3878
5 C1b C 29.2083 -20.5902
6 C8y C 27.3080 -23.8685
7 C8y C 27.3080 -22.4801
8 C8y C 26.1055 -21.7859
9 C8y C 24.9033 -22.4801
10 C8x C 24.9033 -23.8685
11 C8x C 26.1055 -24.5627
12 C8y C 29.7115 -23.8685
13 C8y C 28.5099 -24.5568
14 C8x C 28.5052 -25.9417
15 C8x C 29.7021 -26.6381
16 C8y C 30.9084 -24.5651
17 C8y C 30.9678 -25.9436
18 C8x C 32.0862 -26.6421
19 C8x C 32.1076 -23.8850
20 C8y C 33.2961 -24.5836
21 C8y C 33.2930 -25.9656
22 O2x O 34.6065 -26.3956
23 C1x C 35.4211 -25.2791
24 O2x O 34.6113 -24.1593
25 O2a O 23.7008 -21.7859
26 O2a O 26.1055 -20.3976
27 C1a C 24.7555 -20.0329
28 C1a C 22.4984 -22.4801
29 C1a C 30.9144 -21.7868
30 O5a O 29.4957 -18.3920
31 C8x C 26.4244 -13.1471
32 C8x C 27.6297 -12.4529
33 C8y C 28.8280 -13.1471
34 C8y C 28.8221 -14.5355
35 C8x C 30.0215 -15.2348
36 C8x C 30.0333 -12.4580
37 C8y C 31.2327 -13.1574
38 C8y C 31.2301 -14.5498
39 O2x O 32.5537 -14.9827
40 C1x C 33.3742 -13.8576
41 O2x O 32.5578 -12.7294
42 C8y C 27.6297 -15.2297
43 C8y C 26.4244 -14.5355
44 C1y C 26.4273 -17.3172
45 N1y N 27.6311 -16.6206
46 C8y C 25.2220 -16.6230
47 C8y C 25.2230 -15.2349
48 C8x C 24.0214 -14.5399
49 C8x C 24.0194 -17.3162
50 C8y C 22.8177 -16.6213
51 C8y C 22.8160 -15.2285
52 O2x O 21.4907 -14.7999
53 C1x C 20.6738 -15.9278
54 O2x O 21.4937 -17.0535
55 C1a C 28.8342 -17.3135
BOND 65
1 3 5 1
2 8 26 1
3 2 5 1 #Up
4 26 27 1
5 1 2 1
6 25 28 1
7 2 7 1
8 1 29 1
9 12 13 2
10 3 30 2
11 13 14 1
12 14 15 2
13 31 43 1
14 42 34 1
15 33 32 1
16 32 31 2
17 15 17 1
18 16 12 1
19 6 13 1
20 33 34 2
21 34 35 1
22 35 38 2
23 37 36 2
24 36 33 1
25 4 3 1
26 12 1 1
27 16 17 2
28 17 18 1
29 18 21 2
30 37 38 1
31 38 39 1
32 39 40 1
33 40 41 1
34 41 37 1
35 20 19 2
36 19 16 1
37 6 7 2
38 7 8 1
39 42 43 2
40 43 47 1
41 46 44 1
42 44 45 1
43 45 42 1
44 8 9 2
45 9 10 1
46 10 11 2
47 20 21 1
48 46 47 2
49 47 48 1
50 48 51 2
51 50 49 2
52 49 46 1
53 21 22 1
54 22 23 1
55 23 24 1
56 24 20 1
57 11 6 1
58 50 51 1
59 51 52 1
60 52 53 1
61 53 54 1
62 54 50 1
63 9 25 1
64 45 55 1
65 44 4 1 #Up
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