ATOM 39
1 C1y C 28.6536 -19.1581
2 N1c N 20.1935 -19.7873
3 C1b C 21.3821 -19.0881
4 S4a S 19.0049 -19.0881
5 C1c C 22.6406 -19.7873
6 C8y C 17.7464 -19.7873
7 C1c C 23.8292 -19.0881
8 C1b C 23.8292 -17.6898
9 N1b N 25.0178 -19.7873
10 C8y C 22.6406 -16.9906
11 C7a C 26.2064 -19.0881
12 C8x C 21.3821 -17.6898
13 C8x C 22.6406 -15.5922
14 O7a O 27.4650 -19.7873
15 O6a O 26.2064 -17.6898
16 C8x C 20.1935 -16.9906
17 C8x C 21.3821 -14.8931
18 C8x C 20.1935 -15.5922
19 C8x C 17.7464 -21.1857
20 C8x C 16.5578 -21.8849
21 C8y C 15.3692 -21.1857
22 C8x C 15.3692 -19.7873
23 C8x C 16.5578 -19.0881
24 C1b C 20.1935 -21.1857
25 C1c C 19.0049 -21.9548
26 C1a C 19.0049 -23.3531
27 C1a C 17.8163 -22.5840
28 O1a O 22.5707 -21.1857
29 O3c O 19.9838 -18.1093
30 O3c O 18.0261 -18.1093
31 C1y C 29.9121 -19.7873
32 C1y C 30.8909 -18.8085
33 O2x O 30.2617 -17.5499
34 C1x C 28.8633 -17.7597
35 C1x C 30.6113 -21.0458
36 C1x C 32.0096 -20.7662
37 O2x O 32.1495 -19.4377
38 O2a O 14.1107 -21.8849
39 C1a C 12.9425 -21.1847
BOND 42
1 2 3 1
2 2 4 1
3 3 5 1
4 4 6 1
5 5 7 1
6 7 8 1 #Down
7 7 9 1
8 8 10 1
9 9 11 1
10 10 12 2
11 10 13 1
12 11 14 1
13 11 15 2
14 12 16 1
15 13 17 2
16 16 18 2
17 17 18 1
18 6 19 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 6 23 1
24 2 24 1
25 24 25 1
26 25 26 1
27 25 27 1
28 5 28 1 #Down
29 4 29 2
30 4 30 2
31 1 14 1 #Up
32 1 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 1 34 1
37 31 35 1
38 35 36 1
39 36 37 1
40 32 37 1
41 21 38 1
42 38 39 1
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