ATOM 55
1 C8y C 25.9177 -19.6177
2 C8y C 27.1891 -20.2301
3 C8y C 24.9496 -20.6441
4 C1x C 27.1600 -19.0578
5 C8y C 26.9909 -21.6182
6 C8x C 28.4897 -19.7051
7 N4x N 25.6202 -21.8805
8 S2x S 23.5440 -20.6441
9 C1y C 27.1600 -17.6581
10 C8x C 28.1048 -22.4812
11 C8x C 29.5979 -20.5624
12 C1x C 23.5440 -21.9798
13 C5x C 28.3730 -16.9582
14 N1x N 25.9468 -16.9640
15 C8x C 29.4054 -21.9505
16 C1y C 24.7572 -22.9770
17 N1x N 29.5803 -17.6522
18 O5x O 28.3614 -15.5527
19 C5x C 24.7338 -17.6698
20 C5x C 23.4041 -22.9653
21 N1x N 25.9177 -23.6535
22 C1y C 30.7526 -18.3170
23 C1y C 23.5208 -16.9699
24 O5x O 24.7279 -19.0695
25 N1y N 21.0479 -21.1808
26 O5x O 22.7276 -24.1318
27 C5x C 27.0842 -22.9770
28 C5x C 31.4174 -19.4835
29 C1b C 31.9132 -17.6407
30 N1x N 22.3076 -17.6755
31 C1a C 23.5208 -15.5761
32 C1y C 21.1003 -19.7694
33 C1x C 19.7882 -21.6239
34 C1y C 28.2448 -23.6535
35 O5x O 27.0726 -24.3184
36 N1x N 30.7526 -20.6500
37 O5x O 32.5780 -19.4543
38 C1d C 33.0797 -18.3113
39 C5x C 22.3076 -19.0695
40 C1x C 19.7589 -19.3552
41 C1y C 18.9425 -20.5100
42 N1x N 29.4054 -22.9770
43 C1c C 28.2448 -24.9891
44 C1y C 31.4234 -21.8106
45 C1b C 34.2403 -17.6347
46 C1a C 33.7738 -20.2127
47 O1a O 34.4503 -19.1861
48 O5x O 23.5208 -19.7694
49 O1a O 17.5369 -20.4983
50 C5x C 30.7526 -22.9770
51 C1a C 27.0842 -25.6598
52 O1a O 29.4054 -25.6657
53 C1a C 32.7238 -22.1546
54 O1a O 35.4066 -18.2996
55 O5x O 31.4174 -24.1376
BOND 59
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 2
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 2
15 12 16 1
16 13 17 1
17 13 18 2
18 14 19 1
19 16 20 1
20 16 21 1
21 17 22 1
22 19 23 1
23 19 24 2
24 20 25 1
25 20 26 2
26 21 27 1
27 22 28 1
28 22 29 1 #Up
29 23 30 1
30 23 31 1 #Up
31 25 32 1
32 25 33 1
33 27 34 1
34 27 35 2
35 28 36 1
36 28 37 2
37 29 38 1
38 30 39 1
39 32 40 1
40 33 41 1
41 34 42 1
42 34 43 1
43 36 44 1
44 38 45 1
45 38 46 1 #Up
46 38 47 1 #Down
47 39 48 2
48 41 49 1 #Up
49 42 50 1
50 43 51 1
51 43 52 1 #Up
52 44 53 1 #Up
53 45 54 1
54 50 55 2
55 5 7 1
56 11 15 1
57 32 39 1
58 40 41 1
59 44 50 1
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