ATOM 43
1 X Cl 17.2163 -10.6380 #-
2 C8y C 18.4761 -13.2976
3 C8y C 18.4761 -14.6973
4 C8y C 19.6659 -12.5977
5 O2x O 17.2863 -12.5977 #+
6 C8x C 17.2863 -15.3972
7 O2a O 19.8759 -15.4672
8 C8x C 20.8557 -13.2976
9 C8x C 19.6659 -11.1979
10 C8y C 16.0965 -13.2976
11 C8y C 16.0965 -14.6973
12 C1y C 21.2057 -16.3771
13 C8y C 22.1155 -12.6677
14 C8x C 20.9257 -10.5680
15 C8x C 14.8367 -12.5977
16 C8y C 14.8367 -15.3972
17 O2x O 21.2057 -17.7768
18 C1y C 22.3955 -15.7472
19 C8y C 22.1155 -11.2679
20 O1a O 23.3053 -13.3676
21 C8y C 13.6469 -13.2976
22 C8x C 13.6469 -14.6973
23 O1a O 14.8367 -16.7270
24 C1y C 22.3255 -18.5467
25 C1y C 23.5853 -16.4471
26 O1a O 22.4655 -14.3474
27 O1a O 23.3053 -10.5680
28 O1a O 12.4571 -12.5977
29 C1b C 22.2555 -19.9465
30 C1y C 23.5853 -17.8468
31 O1a O 24.8451 -15.8172
32 O2a O 21.1357 -20.5764
33 O1a O 24.7051 -18.6167
34 C1y C 19.7359 -19.7365
35 C1y C 18.4761 -20.3664
36 O2x O 19.7359 -18.3367
37 C1y C 17.3563 -19.5965
38 O1a O 18.4061 -21.7662
39 C1y C 18.6161 -17.5669
40 C1y C 17.3563 -18.1968
41 O1a O 16.0965 -20.2964
42 C1a C 18.5461 -16.3071
43 O1a O 16.2365 -17.5669
BOND 46
1 2 3 1
2 2 4 1
3 2 5 2
4 3 6 2
5 3 7 1
6 4 8 2
7 4 9 1
8 5 10 1
9 6 11 1
10 12 7 1 #Up
11 8 13 1
12 9 14 2
13 10 15 1
14 11 16 1
15 12 17 1
16 12 18 1
17 13 19 2
18 13 20 1
19 15 21 2
20 16 22 2
21 16 23 1
22 17 24 1
23 18 25 1
24 18 26 1 #Down
25 19 27 1
26 21 28 1
27 24 29 1 #Up
28 24 30 1
29 25 31 1 #Up
30 29 32 1
31 30 33 1 #Down
32 34 32 1 #Up
33 34 35 1
34 34 36 1
35 35 37 1
36 35 38 1 #Down
37 36 39 1
38 37 40 1
39 37 41 1 #Down
40 39 42 1 #Down
41 40 43 1 #Up
42 10 11 2
43 14 19 1
44 21 22 1
45 25 30 1
46 39 40 1
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