ATOM 44
1 C8y C 16.9891 -19.8485
2 O2a O 18.2518 -19.1470
3 C1b C 19.4443 -19.8485
4 C5a C 20.6368 -19.1470
5 N1b N 21.8995 -19.8485
6 C1c C 23.0921 -19.1470
7 C1c C 24.2846 -19.8485
8 C1b C 25.5473 -19.1470
9 N1y N 26.7398 -19.8485
10 O5a O 20.6368 -17.7440
11 C1b C 23.0921 -17.7440
12 C8y C 24.2846 -17.0425
13 O1a O 24.2846 -21.2515
14 C1x C 26.7398 -21.2515
15 C1x C 27.9324 -21.9530
16 C1y C 29.1950 -21.2515
17 C1x C 29.1950 -19.8485
18 C1y C 27.9324 -19.1470
19 S2a S 30.3876 -21.9530
20 C8y C 31.5801 -21.2515
21 C5a C 27.9324 -17.7440
22 C8x C 25.5473 -16.3410
23 C8x C 25.5473 -14.9380
24 C8x C 24.3547 -14.2366
25 C8x C 23.1622 -14.9380
26 C8x C 23.1622 -16.3410
27 N1b N 29.1249 -17.0425
28 O5a O 26.7398 -17.0425
29 C1d C 30.3174 -17.7440
30 C1a C 31.5100 -17.0425
31 C1a C 30.3174 -19.1470
32 C1a C 31.5801 -18.4455
33 C8x C 32.8025 -21.9439
34 C8x C 34.0092 -21.2340
35 N5x N 33.9977 -19.8341
36 C8x C 32.7752 -19.1416
37 C8x C 31.5685 -19.8515
38 C8y C 15.8175 -19.1465
39 C8x C 14.5939 -19.8268
40 C8x C 14.5712 -21.2266
41 C8x C 15.7427 -21.9285
42 C8y C 16.9664 -21.2483
43 C1a C 15.8398 -17.7801
44 C1a C 18.1613 -21.9645
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 4 10 2
10 6 11 1 #Up
11 11 12 1
12 7 13 1 #Up
13 9 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 9 18 1
19 16 19 1 #Down
20 19 20 1
21 18 21 1 #Down
22 12 22 2
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 26 12 1
28 21 27 1
29 21 28 2
30 27 29 1
31 29 30 1
32 29 31 1
33 29 32 1
34 20 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 36 37 1
39 20 37 2
40 1 38 2
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 1 42 1
46 38 43 1
47 42 44 1
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