ATOM 74
1 C5x C 22.1200 -11.0600
2 S3x S 22.1200 -12.4600
3 S3x S 23.3100 -13.1600
4 C1z C 24.5700 -12.4600
5 C1y C 24.5700 -11.0600
6 N1x N 23.3100 -10.3600
7 C1y C 20.9300 -10.3600
8 N1x N 19.6700 -11.0600
9 C1y C 19.6700 -12.4600
10 C1x C 20.9300 -13.1600
11 C5x C 18.4800 -10.3600
12 C1y C 17.2900 -11.0600
13 N1x N 17.2900 -12.4600
14 C5x C 18.4800 -13.1600
15 C5x C 14.9100 -10.0800
16 N1x N 16.3100 -10.0800
17 C1y C 16.3100 -13.4400
18 C5x C 14.9100 -13.4400
19 N1x N 13.9300 -12.4600
20 C1y C 13.9300 -11.0600
21 C5a C 25.7824 -10.3600
22 N1b N 26.9949 -11.0600
23 C1c C 28.2073 -10.3600
24 C1c C 29.4197 -11.0600
25 C1a C 30.6322 -10.3600
26 O5a O 25.7824 -8.9602
27 O5x O 22.1200 -9.6600
28 O5x O 14.3742 -8.7866
29 O5x O 18.4800 -9.1000
30 O5x O 14.3742 -14.7334
31 C1b C 16.8458 -14.7334
32 C8y C 16.0184 -15.8112
33 C8x C 14.6305 -15.7888
34 C8x C 13.9708 -17.0937
35 C8y C 14.7103 -18.2824
36 C8x C 16.0969 -18.2368
37 C8x C 16.7566 -17.0020
38 C1b C 12.6366 -10.5242
39 C8y C 11.5582 -11.3517
40 C8x C 10.2210 -10.8998
41 N4x N 9.3780 -12.0320
42 C8y C 10.1942 -13.1836
43 C8y C 11.5417 -12.7631
44 C8x C 9.8871 -14.5495
45 C8x C 10.9165 -15.4984
46 C8x C 12.2639 -15.0780
47 C8x C 12.5710 -13.7121
48 O1a O 14.0534 -19.5117
49 N1b N 19.6700 -13.8600
50 C5a C 20.8824 -14.5600
51 C1c C 20.8824 -15.9600
52 C1b C 22.0780 -16.6503
53 C8y C 22.0781 -18.0597
54 C8x C 20.8447 -18.7723
55 C8x C 20.8452 -20.1723
56 C8x C 22.0578 -20.8719
57 C8x C 23.2912 -20.1594
58 C8x C 23.2908 -18.7594
59 O5a O 22.0779 -13.8696
60 N1a N 19.6533 -16.6698
61 O5x O 18.4800 -14.5600
62 C1c C 20.9472 -8.9601
63 C1a C 22.1551 -8.2824
64 O1a O 19.7308 -8.2376
65 C1b C 17.2900 -8.8900
66 C1b C 16.0734 -8.1973
67 C1b C 16.0650 -6.7973
68 N1a N 14.8484 -6.1046
69 C1a C 25.8300 -13.0200
70 C1a C 25.2099 -14.0099
71 C5a C 28.2073 -8.9600
72 N1a N 29.4218 -8.2588
73 O5a O 26.9969 -8.2612
74 O1a O 29.4197 -12.4599
BOND 78
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 1 6 1
6 1 7 1
7 7 8 1
8 9 10 1
9 2 10 1
10 8 11 1
11 11 12 1
12 13 14 1
13 9 14 1
14 15 16 1
15 16 12 1
16 13 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 15 1
21 5 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 21 26 2
27 1 27 2
28 15 28 2
29 11 29 2
30 18 30 2
31 17 31 1
32 31 32 1
33 32 33 2
34 33 34 1
35 34 35 2
36 35 36 1
37 36 37 2
38 32 37 1
39 20 38 1
40 38 39 1
41 39 40 2
42 40 41 1
43 41 42 1
44 42 43 1
45 39 43 1
46 42 44 2
47 44 45 1
48 45 46 2
49 46 47 1
50 43 47 2
51 35 48 1
52 9 49 1
53 49 50 1
54 50 51 1
55 51 52 1
56 52 53 1
57 53 54 2
58 54 55 1
59 55 56 2
60 56 57 1
61 57 58 2
62 53 58 1
63 50 59 2
64 51 60 1
65 14 61 2
66 7 62 1
67 62 63 1
68 62 64 1
69 12 65 1
70 65 66 1
71 66 67 1
72 67 68 1
73 4 69 1
74 4 70 1
75 23 71 1
76 71 72 1
77 71 73 2
78 24 74 1
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