ATOM 40
1 C4a C 32.2913 -16.5251
2 C2c C 33.4691 -17.2034
3 C1a C 34.6400 -16.5251
4 C2b C 33.4691 -18.5595
5 C1b C 32.4313 -19.5036
6 C1z C 31.1903 -19.4965
7 C1y C 31.2091 -20.7918
8 C5x C 32.4938 -20.4619
9 O2x O 30.3020 -17.9921
10 C2x C 31.0590 -22.5321
11 C1z C 30.0968 -19.2353
12 C1x C 30.9200 -21.4791
13 C1y C 32.2600 -21.8506
14 O5x O 33.7347 -20.4641
15 C1a C 29.0609 -18.4766
16 C1a C 31.5443 -18.3277
17 C2y C 29.8831 -21.8245
18 C1z C 29.8831 -20.4403
19 O2x O 28.6993 -19.7221
20 C5x C 28.6705 -22.5118
21 C8y C 27.4868 -20.4094
22 C8y C 27.4753 -21.8014
23 O5x O 28.7346 -23.9096
24 C8y C 26.2730 -19.7047
25 C8y C 26.2614 -22.5002
26 C8y C 25.0604 -20.3979
27 C1b C 26.2614 -18.3012
28 C8y C 25.0546 -21.7956
29 O1a O 26.2555 -23.8981
30 O2x O 23.8536 -19.6990
31 C2b C 25.0604 -17.6082
32 C2x C 23.8536 -22.4944
33 C1z C 22.6467 -20.3979
34 C2c C 25.0604 -16.2103
35 C2x C 22.6467 -21.7956
36 C1a C 21.4270 -19.6990
37 C1a C 21.4213 -21.0910
38 C1a C 23.8477 -15.5115
39 C1a C 26.2614 -15.5115
40 O4a O 31.0660 -17.2345
BOND 45
1 2 4 2
2 1 2 1
3 4 5 1
4 18 6 1 #Down
5 18 7 1 #Up
6 6 8 1
7 6 9 1
8 17 10 2
9 7 11 1
10 7 12 1
11 13 8 1 #Down
12 8 14 2
13 11 15 1
14 11 16 1
15 9 11 1
16 10 13 1
17 13 12 1 #Up
18 2 3 1
19 18 17 1
20 18 19 1
21 17 20 1
22 19 21 1
23 20 22 1
24 20 23 2
25 21 24 1
26 22 25 1
27 24 26 2
28 24 27 1
29 25 28 2
30 25 29 1
31 26 30 1
32 27 31 1
33 28 32 1
34 30 33 1
35 31 34 2
36 32 35 2
37 33 36 1
38 33 37 1
39 34 38 1
40 34 39 1
41 21 22 2
42 26 28 1
43 33 35 1
44 6 5 1
45 1 40 2
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