ATOM 71
1 C1z C 28.0609 -18.8556
2 C7x C 29.2408 -20.7901
3 O7x O 29.3521 -19.3968
4 C8y C 26.8448 -18.1589
5 C8y C 29.2803 -18.1649
6 C8y C 26.7806 -16.7493
7 C8x C 25.6387 -18.8517
8 C8y C 29.2920 -16.7609
9 C8x C 30.5038 -18.8517
10 C8x C 25.6387 -16.0379
11 O2x O 28.0742 -16.0437
12 C8y C 24.4151 -18.1589
13 C8x C 30.5155 -16.0612
14 C8y C 31.7159 -18.1822
15 C8y C 24.4151 -16.7493
16 C8y C 31.7275 -16.7842
17 C8y C 27.8811 -21.1129
18 C8y C 27.1580 -19.9216
19 C8x C 25.7672 -19.9496
20 C8x C 25.0996 -21.1689
21 C8x C 25.8158 -22.3603
22 C8x C 27.2064 -22.3323
23 O6a O 30.3055 -21.6959
24 O7a O 23.2086 -16.0465
25 O7a O 32.9478 -16.0935
26 C7a C 23.2078 -14.6468
27 C1a C 21.9942 -13.9513
28 O6a O 24.4135 -13.9498
29 C7a C 32.9623 -14.6939
30 C1a C 34.1757 -14.0101
31 O6a O 31.7565 -13.9849
32 C1b C 23.2073 -18.8522
33 N1c N 21.9974 -18.1630
34 C1b C 20.7878 -18.8593
35 C1b C 32.9135 -18.8733
36 N1c N 34.1233 -18.1770
37 C1b C 35.3330 -18.8733
38 C1b C 21.9944 -16.7633
39 C1b C 34.1233 -16.7773
40 C7a C 35.3364 -16.0740
41 O7a O 36.5494 -16.7773
42 C1b C 37.7626 -16.0740
43 C7a C 35.3313 -20.2731
44 C7a C 20.7895 -20.2589
45 C7a C 20.7798 -16.0626
46 O7a O 19.5683 -16.7685
47 C1b C 18.3536 -16.0678
48 O6a O 35.3261 -14.6672
49 O6a O 20.7667 -14.6603
50 O7a O 36.5437 -20.9778
51 C1b C 36.5420 -22.3775
52 O6a O 34.1174 -20.9749
53 O7a O 19.5771 -20.9638
54 C1b C 19.5788 -22.3634
55 O6a O 22.0033 -20.9608
56 O7a O 38.9756 -16.7773
57 C7a C 40.1888 -16.0740
58 C1a C 41.4019 -16.7773
59 O6a O 40.1888 -14.6743
60 O7a O 17.1421 -16.7739
61 C7a C 15.9274 -16.0732
62 C1a C 14.7159 -16.7791
63 O6a O 15.9943 -14.6735
64 O7a O 37.7542 -23.0752
65 C7a C 37.7526 -24.4749
66 C1a C 38.9648 -25.1797
67 O6a O 36.5386 -25.1768
68 O7a O 18.3666 -23.0612
69 C7a C 18.3681 -24.4608
70 C1a C 17.1559 -25.1657
71 O6a O 19.5822 -25.1628
BOND 75
1 13 16 2
2 33 34 1
3 8 11 1
4 14 35 1
5 12 15 1
6 35 36 1
7 14 16 1
8 36 37 1
9 2 3 1
10 33 38 1
11 3 1 1
12 36 39 1
13 39 40 1
14 1 18 1
15 40 41 1
16 17 2 1
17 41 42 1
18 1 4 1
19 37 43 1
20 17 18 2
21 34 44 1
22 18 19 1
23 38 45 1
24 19 20 2
25 45 46 1
26 20 21 1
27 46 47 1
28 21 22 2
29 40 48 2
30 22 17 1
31 45 49 2
32 1 5 1
33 43 50 1
34 2 23 2
35 50 51 1
36 4 6 2
37 43 52 2
38 15 24 1
39 44 53 1
40 4 7 1
41 53 54 1
42 16 25 1
43 44 55 2
44 5 8 2
45 42 56 1
46 24 26 1
47 56 57 1
48 5 9 1
49 57 58 1
50 26 27 1
51 57 59 2
52 6 10 1
53 47 60 1
54 26 28 2
55 60 61 1
56 6 11 1
57 61 62 1
58 25 29 1
59 61 63 2
60 7 12 2
61 51 64 1
62 29 30 1
63 64 65 1
64 8 13 1
65 65 66 1
66 29 31 2
67 65 67 2
68 9 14 2
69 54 68 1
70 12 32 1
71 68 69 1
72 10 15 2
73 69 70 1
74 32 33 1
75 69 71 2
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