ATOM 54
1 C1y C 11.3405 -18.6696
2 O7a O 11.3336 -20.0737
3 C7a C 12.5470 -20.7784
4 C2c C 13.7672 -20.0859
5 C1a C 13.7042 -17.2796
6 C1y C 12.5610 -17.9700
7 C1c C 7.7350 -13.7516
8 C1a C 6.5214 -14.4501
9 O6a O 6.5135 -15.8539
10 C7x C 7.7191 -16.5593
11 O7x O 8.9397 -15.8678
12 C1y C 8.9476 -14.4640
13 C1x C 7.6989 -17.9495
14 C1x C 8.9116 -18.6617
15 C1x C 10.1320 -17.9632
16 C1a C 10.1401 -16.5596
17 C2y C 11.3616 -15.8683
18 C1x C 12.5044 -16.5736
19 C1x C 10.1622 -13.7585
20 C2x C 11.3748 -14.4709
21 C1b C 7.7420 -12.3476
22 C2b C 10.1759 -12.3598
23 C2c C 8.9626 -11.6551
24 C2b C 14.9743 -20.7722
25 C2c C 16.1809 -20.0737
26 C2b C 17.3945 -20.7651
27 C2c C 18.6080 -20.0666
28 C2b C 19.8216 -20.7580
29 C2b C 21.0353 -20.0595
30 C2b C 22.2488 -20.7510
31 C2c C 23.4624 -20.0526
32 C2b C 24.6761 -20.7439
33 C1c C 25.8827 -20.0454
34 C1c C 27.0961 -20.7368
35 C1b C 28.3098 -20.0383
36 C1c C 29.5234 -20.7299
37 C1a C 30.7369 -20.0313
38 C1c C 11.3828 -11.6560
39 C1c C 12.5965 -12.3476
40 C1b C 13.8099 -11.6490
41 C1c C 15.0235 -12.3405
42 C1a C 16.2373 -11.6419
43 C1a C 8.9697 -10.2510
44 C1a C 11.3758 -10.2518
45 O1a O 12.5895 -13.7516
46 O1a O 15.0267 -13.7445
47 O6a O 12.5399 -22.1823
48 C1a C 16.1778 -18.6696
49 C1a C 18.6050 -18.6624
50 C1a C 23.4594 -18.6483
51 O1a O 27.0991 -22.1408
52 O1a O 29.5265 -22.1339
53 O1a O 25.9147 -18.5918
54 C1a C 13.7672 -18.7185
BOND 54
1 26 27 1
2 10 13 1
3 27 28 2
4 13 14 1
5 28 29 1
6 14 15 1
7 29 30 2
8 6 5 1 #Down
9 30 31 1
10 6 1 1
11 31 32 2
12 17 16 1
13 32 33 1
14 15 1 1
15 33 34 1
16 6 18 1
17 34 35 1
18 18 17 1
19 35 36 1
20 7 8 1 #Up
21 36 37 1
22 9 10 2
23 22 38 1
24 19 12 1
25 38 39 1
26 17 20 2
27 39 40 1
28 20 19 1
29 40 41 1
30 10 11 1
31 41 42 1
32 12 11 1 #Up
33 23 43 1
34 12 7 1
35 38 44 1 #Up
36 21 7 1
37 39 45 1 #Up
38 22 23 2
39 41 46 1 #Up
40 23 21 1
41 3 47 2
42 25 48 1
43 4 24 2
44 27 49 1
45 1 2 1 #Up
46 31 50 1
47 24 25 1
48 34 51 1
49 2 3 1
50 36 52 1
51 25 26 2
52 3 4 1
53 33 53 1
54 4 54 1
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