ATOM 54
1 X Cl 23.4047 -15.2915 #-
2 C8y C 24.7584 -18.2660
3 C8y C 24.7524 -19.6584
4 C8y C 25.9694 -17.5814
5 O2x O 23.5648 -17.5579 #+
6 C8x C 23.5531 -20.3428
7 O2a O 26.1157 -20.4365
8 C8x C 27.1571 -18.2834
9 C8x C 25.9694 -16.2006
10 C8y C 22.3537 -18.2542
11 C8y C 22.3479 -19.6525
12 C1y C 27.4554 -21.3374
13 C8y C 28.3564 -17.5990
14 C8x C 27.1746 -15.5162
15 C8x C 21.1486 -17.5522
16 C8y C 21.1486 -20.3370
17 O2x O 27.4087 -22.7241
18 C1y C 28.6841 -20.6881
19 C8y C 28.3681 -16.2183
20 C8y C 19.9435 -18.2542
21 C8x C 19.9435 -19.6525
22 O2a O 21.1486 -21.7353
23 C1y C 28.5846 -23.4611
24 C1y C 29.8600 -21.4251
25 O1a O 28.7367 -19.3074
26 O1a O 29.5733 -15.5279
27 O1a O 18.7382 -17.5522
28 C1b C 28.5319 -24.8418
29 C1y C 29.8074 -22.8118
30 O1a O 31.0828 -20.7758
31 O2a O 27.3736 -25.4853
32 O1a O 30.9774 -23.5547
33 C1y C 25.9869 -24.6313
34 C1y C 24.7641 -25.2748
35 O2x O 26.0397 -23.2448
36 C1y C 23.5999 -24.5376
37 O1a O 24.7173 -26.6555
38 C1y C 24.8637 -22.5076
39 C1y C 23.6467 -23.1628
40 O1a O 22.4414 -25.2628
41 C1a C 24.8463 -21.2609
42 O1a O 22.5350 -22.4956
43 C1y C 19.9365 -22.4351
44 O2x O 18.7307 -21.7342
45 C1y C 17.5184 -22.4341
46 C1y C 17.5184 -23.8338
47 C1y C 18.7307 -24.5337
48 C1y C 19.9430 -23.8338
49 O1a O 21.0867 -24.4608
50 O1a O 18.7307 -25.9334
51 O1a O 16.3062 -24.5337
52 C1b C 16.3062 -21.7342
53 O1a O 15.0941 -22.4341
54 O1a O 29.5639 -18.3070
BOND 58
1 9 14 2
2 10 15 1
3 11 16 1
4 12 17 1
5 12 18 1
6 13 19 2
7 15 20 2
8 16 21 2
9 16 22 1
10 17 23 1
11 18 24 1
12 18 25 1 #Down
13 19 26 1
14 20 27 1
15 23 28 1 #Up
16 23 29 1
17 24 30 1 #Up
18 28 31 1
19 29 32 1 #Down
20 33 31 1 #Up
21 33 34 1
22 33 35 1
23 34 36 1
24 34 37 1 #Down
25 35 38 1
26 36 39 1
27 36 40 1 #Down
28 38 41 1 #Down
29 39 42 1 #Up
30 10 11 2
31 14 19 1
32 20 21 1
33 24 29 1
34 38 39 1
35 43 22 1 #Up
36 2 3 1
37 2 4 1
38 2 5 2
39 3 6 2
40 3 7 1
41 43 44 1
42 44 45 1
43 45 46 1
44 46 47 1
45 47 48 1
46 48 43 1
47 4 8 2
48 48 49 1 #Down
49 4 9 1
50 47 50 1 #Up
51 5 10 1
52 46 51 1 #Down
53 6 11 1
54 45 52 1 #Up
55 12 7 1 #Up
56 52 53 1
57 8 13 1
58 13 54 1
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