ATOM 53
1 C1x C 20.6010 -20.1239
2 C1y C 20.6010 -21.5265
3 O7x O 21.8157 -22.2278
4 C7x C 23.0304 -21.5265
5 C1x C 21.8157 -19.4226
6 C1x C 24.2450 -22.2278
7 C1y C 25.4597 -21.5265
8 C2y C 25.4597 -20.1239
9 C5x C 24.2450 -19.4226
10 C1y C 24.2450 -18.0201
11 C1y C 23.0304 -17.3188
12 C1x C 21.8157 -18.0201
13 C1b C 19.3864 -22.2278
14 C1y C 26.7936 -21.9599
15 C1y C 27.6180 -20.8252
16 C2x C 26.7936 -19.6905
17 C1x C 27.3642 -23.2413
18 C1x C 28.7590 -23.3878
19 C1y C 29.5834 -22.2531
20 C1y C 29.0130 -20.9718
21 C1x C 30.9783 -22.1066
22 C1y C 31.2699 -20.7346
23 C1x C 30.0553 -20.0334
24 O2a O 32.4753 -20.0538
25 C1y C 33.6900 -20.7551
26 O2a O 23.0304 -15.9164
27 O5x O 25.4597 -18.7213
28 O6a O 23.0304 -22.9291
29 C1a C 25.4618 -17.3176
30 C1a C 18.1887 -21.5361
31 C1y C 21.8346 -15.2259
32 O2x O 21.8345 -13.8126
33 C1y C 20.6198 -13.1114
34 C1y C 19.4051 -13.8128
35 C1x C 19.4052 -15.2261
36 C1x C 20.6200 -15.9273
37 C1a C 20.6197 -11.7085
38 N1c N 18.1930 -13.1131
39 C1a C 16.9971 -13.8038
40 C1a C 18.1927 -11.7086
41 O2x O 33.6900 -22.1575
42 C1y C 34.9047 -22.8587
43 C1y C 36.1194 -22.1574
44 C1y C 36.1194 -20.7550
45 C1y C 34.9046 -20.0538
46 O2a O 34.9046 -18.6512
47 C1a C 34.9047 -24.2615
48 C1a C 33.6920 -17.9511
49 O2a O 37.3190 -20.0622
50 C1b C 38.5096 -20.7496
51 C1a C 39.7025 -20.0606
52 O2a O 37.3192 -22.8502
53 C1a C 38.5095 -22.1630
BOND 58
1 1 2 1
2 2 3 1
3 3 4 1
4 1 5 1
5 4 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 5 12 1
13 2 13 1 #Up
14 7 14 1
15 14 15 1
16 15 16 1
17 8 16 2
18 14 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 19 21 1
24 21 22 1
25 22 23 1
26 20 23 1
27 22 24 1
28 24 25 1
29 11 26 1 #Down
30 9 27 2
31 4 28 2
32 10 29 1 #Up
33 13 30 1
34 26 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 31 36 1
41 33 37 1 #Up
42 34 38 1 #Down
43 38 39 1
44 38 40 1
45 25 41 1
46 41 42 1
47 42 43 1
48 43 44 1
49 44 45 1
50 25 45 1
51 45 46 1 #Down
52 42 47 1 #Down
53 46 48 1
54 44 49 1 #Down
55 49 50 1
56 50 51 1
57 43 52 1 #Up
58 52 53 1
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