ATOM 44
1 O2b O 19.7837 -22.6164
2 C1b C 19.7766 -24.0166
3 C1a C 20.9866 -24.7261
4 O2b O 22.2105 -22.6286
5 P1a P 21.0006 -21.9260
6 C7x C 27.7550 -17.1849
7 O7x O 28.9714 -16.4883
8 C8y C 30.1806 -17.1849
9 C8y C 30.1747 -18.5850
10 C8x C 31.3781 -19.2937
11 C8x C 32.5945 -18.5953
12 C8y C 32.6005 -17.1952
13 C8x C 31.3901 -16.4936
14 C1z C 27.7550 -18.5850
15 C1z C 28.9714 -19.2886
16 C1z C 28.2773 -20.5023
17 C1z C 27.0514 -19.8014
18 O7x O 27.0683 -22.6203
19 C7x C 28.2855 -21.9118
20 C8y C 25.8424 -21.9263
21 C8y C 25.8415 -20.5214
22 C8x C 24.6305 -19.8161
23 C8x C 24.6322 -22.6260
24 O2b O 33.8056 -16.4954
25 P1a P 35.0158 -17.1849
26 O6a O 29.4929 -22.6024
27 X Cl 29.4858 -21.1952
28 C1a C 25.8343 -19.0987
29 C1a C 30.1752 -19.9851
30 X Cl 26.5379 -17.8885
31 O6a O 26.5379 -16.4883
32 C8y C 23.4085 -21.9270
33 C8x C 23.4085 -20.5339
34 O2b O 20.9937 -20.5339
35 C1b C 19.7864 -19.8338
36 C1a C 18.5791 -20.5339
37 S0 S 22.2039 -21.2093
38 O2b O 35.0158 -18.5779
39 C1b C 36.2259 -19.2815
40 C1a C 37.4360 -18.5710
41 O2b O 36.2259 -16.4883
42 C1b C 36.2259 -15.0953
43 C1a C 35.0087 -14.3918
44 S0 S 33.7987 -17.8814
BOND 48
1 6 14 1
2 8 9 2
3 20 21 2
4 21 22 1
5 22 33 2
6 32 23 2
7 23 20 1
8 9 10 1
9 12 24 1
10 10 11 2
11 24 25 1
12 11 12 1
13 19 26 2
14 12 13 2
15 16 27 1 #Down
16 13 8 1
17 17 28 1 #Up
18 15 9 1
19 15 29 1 #Up
20 8 7 1
21 14 30 1 #Down
22 17 14 1
23 6 31 2
24 14 15 1
25 15 16 1
26 4 32 1
27 32 33 1
28 7 6 1
29 2 3 1
30 4 5 1
31 5 34 1
32 34 35 1
33 35 36 1
34 5 1 1
35 5 37 2
36 16 17 1
37 25 38 1
38 17 21 1
39 38 39 1
40 20 18 1
41 39 40 1
42 18 19 1
43 25 41 1
44 19 16 1
45 41 42 1
46 42 43 1
47 1 2 1
48 25 44 2
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