ATOM 39
1 C1z C 35.7695 -20.2283
2 C1y C 34.7835 -21.2200
3 C1y C 35.7695 -18.8224
4 C1x C 37.0237 -20.8700
5 C1x C 35.7635 -21.6225
6 C1z C 33.3777 -21.2200
7 C5x C 35.4135 -22.4743
8 C1y C 34.7835 -17.8307
9 C1a C 37.0645 -18.2856
10 C1x C 36.8019 -22.2584
11 C1x C 34.4326 -21.6566
12 C1y C 32.3860 -20.2224
13 C1y C 33.3717 -22.6201
14 C1a C 32.2790 -22.1641
15 O5x O 34.7778 -23.7226
16 C1z C 33.3777 -17.8307
17 O1a O 35.3144 -16.5355
18 C1x C 32.3860 -18.8224
19 O7a O 31.0850 -20.7649
20 C1a C 32.9985 -23.9735
21 C2b C 33.7394 -16.4714
22 C1a C 32.8410 -16.5355
23 C7a C 29.8717 -20.0591
24 C2a C 33.3717 -15.1123
25 C1b C 28.6582 -20.7649
26 O6a O 29.8657 -18.6590
27 S2a S 27.4449 -20.0591
28 C1d C 26.2395 -20.7524
29 C1b C 25.0341 -20.0545
30 N1b N 23.8287 -20.7524
31 C5a C 22.6234 -20.0545
32 C1c C 21.4180 -20.7524
33 C1c C 20.2126 -20.0545
34 C1a C 19.0072 -20.7524
35 C1a C 25.4645 -22.1678
36 C1a C 27.0002 -22.1678
37 O5a O 22.6234 -18.6588
38 N1a N 21.4180 -22.1481
39 C1a C 20.2126 -18.6588
BOND 41
1 6 13 1 #Up
2 6 14 1 #Down
3 7 15 2
4 8 16 1
5 8 17 1 #Up
6 12 18 1
7 12 19 1 #Down
8 13 20 1
9 16 21 1 #Up
10 16 22 1 #Down
11 19 23 1
12 21 24 2
13 23 25 1
14 23 26 2
15 25 27 1
16 7 10 1
17 11 13 1
18 16 18 1
19 27 28 1
20 1 2 1
21 28 29 1
22 1 3 1
23 29 30 1
24 1 4 1
25 30 31 1
26 1 5 1 #Up
27 31 32 1
28 2 6 1
29 32 33 1
30 2 7 1
31 33 34 1
32 3 8 1
33 28 35 1
34 3 9 1 #Down
35 28 36 1
36 4 10 1
37 31 37 2
38 5 11 1
39 32 38 1
40 6 12 1
41 33 39 1
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