ATOM 29
1 C1x C 26.4819 -19.4443
2 C1y C 27.0145 -18.1539
3 C2y C 28.3574 -17.7562
4 C2y C 29.4962 -18.5535
5 C1x C 27.1725 -20.6724
6 C5x C 29.5934 -19.9527
7 C1y C 28.5552 -20.8940
8 C1x C 28.2791 -19.2352
9 O5x O 30.8839 -20.4720
10 C5a C 30.7200 -17.8615
11 C8y C 31.9395 -18.5800
12 O5a O 30.7323 -16.4770
13 C8x C 31.9272 -19.9712
14 C8x C 33.1333 -20.6820
15 C8y C 34.3519 -19.9928
16 C8x C 34.3643 -18.6016
17 C8y C 33.1582 -17.8908
18 S2a S 28.5784 -16.3988
19 C8y C 27.4739 -15.4966
20 C8x C 27.7025 -14.0948
21 C8x C 26.6186 -13.2088
22 C8x C 25.3093 -13.7045
23 C8x C 25.0807 -15.1062
24 C8x C 26.1646 -15.9923
25 X Cl 33.1708 -16.5200
26 S4a S 35.5835 -20.7181
27 C1a C 36.7833 -20.0391
28 O3c O 34.8835 -21.9306
29 O3c O 36.2835 -21.9306
BOND 32
1 3 4 2
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 2 8 1
9 7 8 1
10 6 9 2
11 4 10 1
12 10 11 1
13 10 12 2
14 11 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 11 17 1
20 3 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 17 25 1
29 15 26 1
30 26 27 1
31 26 28 2
32 26 29 2
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