ATOM 45
1 C1x C 12.7290 -17.7969
2 C1y C 12.7290 -19.1664
3 C1z C 13.9150 -19.8512
4 C2y C 15.1010 -19.1664
5 C1y C 15.1010 -17.7969
6 C1x C 13.9150 -17.1122
7 C2x C 16.2871 -19.8512
8 C1x C 17.4730 -19.1664
9 C1y C 17.4730 -17.7969
10 C1z C 16.2871 -17.1122
11 C1z C 18.6591 -17.1122
12 C1z C 18.6591 -15.7428
13 C1x C 17.4730 -15.0580
14 C1y C 16.2871 -15.7428
15 C1y C 19.8653 -15.0461
16 C1x C 21.0452 -15.7271
17 C1c C 19.8651 -13.6886
18 C1b C 21.0398 -13.0099
19 C1b C 22.2042 -13.6819
20 C1c C 23.3678 -13.0097
21 C1d C 24.5324 -13.6818
22 C1a C 25.6959 -13.0096
23 C1a C 24.5328 -15.0577
24 C1x C 21.0452 -17.0966
25 C1a C 12.9467 -20.8195
26 C1a C 14.8833 -20.8195
27 C1a C 18.6678 -12.9978
28 C1a C 18.6591 -18.4817
29 O2a O 11.5430 -19.8512
30 C1a C 15.9379 -18.5516
31 C1a C 18.6591 -14.3733
32 O1a O 23.3678 -11.6097
33 O1a O 25.7449 -14.3818
34 O1a O 15.0747 -15.0428
35 C1y C 7.7700 -20.6500
36 C1y C 7.7700 -22.0500
37 C1y C 8.9824 -22.7500
38 C1y C 10.1949 -22.0500
39 C1y C 10.1949 -20.6500
40 O2x O 8.9824 -19.9500
41 O1a O 11.4073 -22.7500
42 O1a O 6.5576 -22.7500
43 C1b C 6.5576 -19.9500
44 O1a O 8.9824 -24.1500
45 O1a O 5.3451 -20.6500
BOND 49
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 12 15 1
18 15 16 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 21 23 1
26 16 24 1
27 24 11 1
28 3 25 1
29 3 26 1
30 17 27 1 #Down
31 11 28 1 #Down
32 2 29 1 #Up
33 10 30 1 #Up
34 12 31 1 #Up
35 20 32 1 #Up
36 21 33 1
37 14 34 1 #Down
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 35 40 1
44 38 41 1 #Down
45 36 42 1 #Down
46 35 43 1 #Up
47 37 44 1 #Up
48 43 45 1
49 29 39 1
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