ATOM 54
1 C1y C 19.7594 -10.7199
2 C5a C 20.9497 -10.0197
3 N1b N 22.2100 -10.7199
4 C1c C 23.4003 -10.0197
5 C8y C 24.5906 -10.7199
6 N5x N 24.7306 -12.1202
7 C8y C 26.1309 -12.4003
8 C8x C 26.8311 -11.2101
9 S2x S 25.9209 -10.1598
10 C1y C 18.4991 -10.1598
11 O2x O 17.5188 -11.2101
12 C2y C 18.2190 -12.4003
13 N2x N 19.6193 -12.1202
14 C1c C 17.5188 -13.5906
15 N1b N 18.2190 -14.8509
16 C5a C 17.5188 -16.0412
17 C8y C 18.2190 -17.2315
18 C5a C 26.8311 -13.5906
19 N1b N 26.1309 -14.8509
20 C1c C 26.8311 -16.0412
21 C8y C 19.7594 -18.9119
22 C1c C 20.9497 -19.6121
23 N1b N 22.2100 -18.9119
24 C5a C 23.4003 -19.6121
25 C1y C 24.5906 -18.9119
26 C1y C 25.8509 -19.4720
27 O2x O 26.8311 -18.4217
28 C2y C 26.1309 -17.2315
29 N2x N 24.7306 -17.5116
30 N5x N 19.6193 -17.5116
31 C8x C 17.5188 -18.4217
32 S2x S 18.4991 -19.4720
33 O5a O 16.1185 -16.0412
34 C1b C 20.9497 -21.0124
35 O5a O 23.4003 -21.0124
36 C1a C 26.1309 -20.8723
37 C1c C 28.2314 -16.0412
38 C1b C 28.9317 -17.2315
39 C1a C 28.9317 -14.8509
40 O5a O 28.2314 -13.5906
41 C1a C 23.4003 -8.6194
42 O5a O 20.9497 -8.6194
43 C1a C 18.2190 -8.8294
44 C8y C 19.7370 -21.7125
45 C8x C 18.5412 -21.0220
46 C8x C 17.3284 -21.7221
47 C8x C 17.3282 -23.1224
48 C8x C 18.5240 -23.8130
49 C8x C 19.7368 -23.1129
50 C1b C 16.1186 -13.5734
51 C1c C 15.4320 -12.3497
52 C1a C 14.0001 -12.3328
53 C1a C 16.1511 -11.1385
54 C1a C 30.3100 -17.2313
BOND 59
1 1 2 1 #Up
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 5 9 1
10 1 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 1 13 1
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 7 18 1
20 18 19 1
21 20 19 1 #Up
22 21 22 1
23 22 23 1
24 23 24 1
25 25 24 1 #Up
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 2
30 25 29 1
31 21 30 2
32 30 17 1
33 17 31 2
34 31 32 1
35 21 32 1
36 20 28 1
37 16 33 2
38 22 34 1 #Down
39 24 35 2
40 26 36 1 #Down
41 20 37 1
42 37 38 1
43 37 39 1 #Up
44 18 40 2
45 4 41 1 #Down
46 2 42 2
47 10 43 1 #Down
48 34 44 1
49 44 45 2
50 45 46 1
51 46 47 2
52 47 48 1
53 48 49 2
54 44 49 1
55 14 50 1 #Up
56 50 51 1
57 51 52 1
58 51 53 1
59 38 54 1
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