ATOM 40
1 C1y C 34.6457 -25.6997
2 C1y C 35.8792 -24.6800
3 C1y C 37.3440 -25.0722
4 C1y C 38.0378 -26.4841
5 C1z C 34.6457 -27.2684
6 C1y C 37.3440 -27.8959
7 C1x C 35.8792 -28.2097
8 C2y C 35.3396 -23.2681
9 C2x C 33.7977 -23.3466
10 C1x C 33.4122 -24.8369
11 C1z C 39.5797 -26.2487
12 C7x C 39.8110 -24.7584
13 O7x O 38.5004 -23.9741
14 C1y C 44.7450 -27.2684
15 C1y C 43.5115 -26.2487
16 C1y C 42.0467 -26.6409
17 C1z C 41.3528 -28.0528
18 C1x C 44.7450 -28.8372
19 C1z C 42.0467 -29.4647
20 C1x C 43.5115 -29.7784
21 C2y C 46.0555 -26.4056
22 C7x C 45.6701 -24.8369
23 O7x O 44.0511 -24.7584
24 C1z C 40.9674 -25.5428
25 C1x C 39.8110 -27.8175
26 O6a O 41.0853 -24.1602
27 O6a O 46.5415 -23.7789
28 C2a C 47.3573 -26.9162
29 C1a C 40.8343 -30.1647
30 O1a O 42.0467 -30.8647
31 O7a O 38.2085 -29.0037
32 C7a C 37.6931 -30.2771
33 O1a O 34.6457 -28.6684
34 C1a C 33.4333 -27.9684
35 C1a C 36.1199 -22.0707
36 C1a C 41.9698 -25.0528
37 C2x C 40.2674 -26.4052
38 C2x C 40.2501 -27.4554
39 C1a C 36.2698 -30.4755
40 O6a O 38.5571 -31.3848
BOND 46
1 3 4 1
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 8 9 2
10 9 10 1
11 1 10 1
12 4 11 1
13 11 12 1
14 12 13 1
15 3 13 1
16 16 17 1
17 14 18 1
18 17 19 1
19 15 16 1
20 18 20 1
21 14 15 1
22 19 20 1
23 14 21 1
24 21 22 1
25 22 23 1
26 15 23 1
27 16 24 1
28 24 11 1
29 11 25 1 #Up
30 17 25 1
31 12 26 2
32 22 27 2
33 21 28 2
34 19 29 1 #Down
35 19 30 1 #Up
36 6 31 1 #Up
37 31 32 1
38 5 33 1 #Up
39 5 34 1 #Down
40 8 35 1
41 24 36 1
42 24 37 1 #Down
43 37 38 2
44 17 38 1 #Down
45 32 39 1
46 32 40 2
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