ATOM 55
1 C1y C 30.6260 -16.9027
2 O2a O 29.4748 -16.2153
3 C5x C 23.6186 -14.2258
4 C1x C 25.8923 -14.2513
5 C1y C 24.7884 -13.5660
6 C1y C 23.6039 -15.5640
7 C1z C 25.9157 -15.5893
8 C1y C 27.1137 -17.6046
9 C1y C 27.0628 -16.2697
10 C1y C 23.5803 -18.2402
11 O7x O 23.5786 -19.5734
12 C7x C 24.7335 -20.2381
13 C1y C 25.8833 -19.5763
14 C5x C 25.8851 -18.2431
15 O6a O 24.7319 -21.5765
16 O5x O 22.5554 -13.4508
17 C1z C 22.3328 -17.5601
18 C1y C 22.3492 -16.2219
19 N1x N 21.0367 -15.7950
20 C7x C 20.2343 -16.8694
21 O7x O 21.0103 -17.9558
22 O6a O 18.8961 -16.8528
23 O5x O 24.7397 -17.5570
24 C1a C 24.8048 -12.2276
25 C1a C 20.9958 -13.9002
26 C1a C 21.8470 -18.8502
27 C1b C 22.6576 -19.0347
28 C1a C 22.6979 -20.3725
29 O2a O 26.6746 -14.4540
30 C1b C 26.6585 -13.1117
31 C2b C 27.8105 -12.4251
32 C2b C 28.9784 -13.0839
33 C8y C 30.1301 -12.3974
34 C8x C 31.2912 -13.0561
35 C8x C 30.0888 -11.0593
36 N5x N 31.3039 -10.3797
37 C8y C 32.4017 -11.0316
38 C8y C 32.4432 -12.3695
39 C8x C 33.5989 -13.0699
40 C8x C 34.8508 -12.4193
41 C8x C 34.8817 -11.0814
42 C8x C 33.6562 -10.3810
43 C1a C 27.5588 -15.1719
44 C1a C 27.0534 -20.2539
45 C1a C 28.1996 -18.2984
46 O2x O 30.6760 -18.2621
47 C1y C 31.7661 -18.9549
48 C1x C 33.0139 -18.2966
49 C1y C 33.0363 -16.9373
50 C1y C 31.8062 -16.2445
51 C1a C 31.7311 -20.2885
52 N1c N 34.1639 -16.2300
53 O1a O 31.8264 -14.8848
54 C1a C 35.3289 -16.8874
55 C1a C 34.1504 -14.8841
BOND 59
1 3 16 2
2 14 8 1
3 8 9 1
4 9 7 1
5 5 3 1
6 17 18 1
7 18 19 1 #Down
8 19 20 1
9 17 21 1 #Up
10 6 18 1
11 20 22 2
12 17 10 1
13 14 23 2
14 3 6 1
15 9 2 1 #Down
16 6 25 1 #Down
17 10 11 1
18 11 12 1
19 12 13 1
20 13 14 1
21 7 4 1
22 21 20 1
23 12 15 2
24 17 26 1 #Down
25 5 24 1 #Down
26 10 27 1 #Up
27 4 5 1
28 27 28 1
29 7 29 1 #Down
30 29 30 1
31 30 31 1
32 31 32 2
33 32 33 1
34 33 34 2
35 33 35 1
36 35 36 2
37 1 2 1 #Up
38 36 37 1
39 37 38 2
40 38 34 1
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 37 42 1
46 7 43 1 #Up
47 13 44 1 #Up
48 8 45 1 #Up
49 1 46 1
50 46 47 1
51 47 48 1
52 48 49 1
53 49 50 1
54 1 50 1
55 47 51 1 #Up
56 49 52 1 #Up
57 50 53 1 #Down
58 52 54 1
59 52 55 1
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