ATOM 43
1 C1x C 27.2759 -23.9359
2 C1y C 27.2759 -25.3305
3 C1x C 28.4614 -26.0279
4 C1y C 29.6469 -25.3305
5 C1z C 29.6469 -23.9359
6 C1x C 28.4614 -23.2385
7 C1x C 30.8324 -26.0279
8 C1y C 32.0876 -25.3305
9 C1y C 32.0876 -23.9359
10 C1y C 30.8324 -23.2385
11 C1y C 33.2731 -23.2385
12 C1z C 33.2731 -21.8438
13 C1x C 32.0876 -21.2162
14 C1x C 30.8324 -21.8438
15 C1a C 29.6469 -22.5412
16 N1b N 26.0904 -26.0279
17 C1a C 33.2731 -20.5189
18 O1a O 33.2731 -26.0279
19 C1b C 24.9050 -25.3305
20 C1b C 23.7195 -26.0279
21 C1b C 22.5340 -25.3305
22 N1b N 21.3485 -26.0279
23 C1b C 20.2328 -25.3305
24 C1x C 35.6440 -23.2385
25 C1x C 35.6440 -21.8438
26 C1y C 34.4585 -21.2162
27 C1c C 34.4585 -19.8215
28 C1b C 35.6440 -19.1242
29 C1a C 33.2731 -19.1242
30 C1b C 36.8295 -19.8215
31 C1c C 38.0150 -19.1242
32 C1c C 39.1307 -19.8215
33 O2a O 38.0150 -17.7295
34 C1a C 40.2465 -19.1242
35 C1a C 39.1307 -21.2162
36 S4a S 36.7598 -17.0322
37 O1d O 35.5743 -16.4046
38 O1d O 37.4571 -15.8467
39 O1d O 36.0624 -18.2874
40 C1b C 19.0473 -26.0279
41 C1b C 17.8618 -25.3305
42 C1b C 16.6066 -26.0279
43 N1a N 15.4211 -25.3305
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 5 15 1 #Up
18 12 17 1 #Up
19 8 18 1 #Down
20 22 23 1
21 11 24 1
22 24 25 1
23 25 26 1
24 12 26 1
25 26 27 1
26 27 28 1
27 27 29 1 #Down
28 28 30 1
29 30 31 1
30 31 32 1
31 31 33 1 #Up
32 32 34 1
33 32 35 1
34 33 36 1
35 36 37 1
36 36 38 2
37 36 39 2
38 2 16 1 #Up
39 16 19 1
40 19 20 1
41 20 21 1
42 21 22 1
43 23 40 1
44 40 41 1
45 41 42 1
46 42 43 1
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