ATOM 38
1 C1x C 27.2300 -23.4500
2 C2y C 27.2300 -24.8500
3 C2x C 28.4424 -25.5500
4 C1y C 29.6549 -24.8500
5 C1z C 29.6549 -23.4500
6 C1x C 28.4424 -22.7500
7 O2x O 30.8673 -25.5500
8 C1y C 32.0797 -24.8500
9 C1z C 32.0797 -23.4500
10 C1z C 30.8673 -22.7500
11 C1a C 26.0176 -25.5500
12 C1x C 29.2925 -22.0977
13 O7x O 26.9125 -22.0977
14 C7x C 26.1800 -20.9076
15 C2x C 26.8800 -19.6951
16 O6a O 24.7800 -20.9273
17 C2y C 26.8800 -18.2951
18 C1y C 28.1033 -17.5891
19 C1z C 28.1035 -16.1891
20 O2x O 26.8911 -15.4889
21 C1x C 25.6679 -16.1950
22 C1x C 25.6677 -17.5950
23 C2x C 29.4700 -16.1784
24 C2x C 30.1627 -17.3950
25 C2x C 31.5627 -17.4034
26 C2x C 32.2554 -18.6200
27 C7x C 33.6554 -18.6284
28 O6a O 34.3699 -17.4075
29 C1y C 32.4997 -21.4900
30 C1x C 30.8673 -24.1500
31 C1a C 30.3773 -21.3276
32 C1x C 33.2922 -22.7500
33 O2x O 33.2922 -24.1500
34 O7x O 34.7397 -20.0200
35 O1a O 29.2824 -18.2701
36 C1c C 28.4633 -14.8264
37 O1a O 29.8354 -14.4530
38 C1a C 27.4900 -13.8602
BOND 43
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 2 11 1
13 5 12 1 #Up
14 12 13 1
15 13 14 1
16 14 15 1
17 14 16 2
18 15 17 2
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 19 23 1 #Down
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 10 29 1 #Up
32 8 30 1 #Up
33 10 31 1 #Down
34 9 32 1 #Down
35 9 33 1 #Up
36 32 33 1
37 30 29 1
38 29 34 1
39 27 34 1
40 18 35 1 #Down
41 19 36 1
42 36 37 1 #Down
43 36 38 1
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