ATOM 44
1 C1c C 27.5295 -23.3665
2 C2c C 27.5073 -24.7628
3 C1b C 25.1249 -23.3665
4 C1b C 26.3272 -22.6755
5 C1b C 29.8708 -16.3507
6 C2b C 31.0660 -15.6513
7 C2c C 31.0660 -14.2635
8 C1a C 32.2732 -13.5690
9 C1a C 29.8592 -13.5631
10 C1z C 29.8803 -17.7332
11 C8y C 25.1366 -18.7022
12 C5a C 26.3389 -18.0040
13 C2y C 27.5411 -18.7022
14 O5a O 26.3389 -16.6145
15 C8x C 23.9343 -18.0040
16 C8y C 22.7319 -18.7022
17 C8y C 22.7319 -20.0915
18 C8x C 23.9343 -20.7826
19 C8x C 25.1366 -20.0915
20 O1a O 21.5297 -18.0040
21 O1a O 21.5297 -20.7826
22 C1z C 30.8480 -18.7022
23 C1y C 30.8480 -20.0666
24 C1z C 28.5159 -21.0343
25 O5x O 28.5102 -18.9519
26 C1x C 29.8803 -21.0343
27 C2y C 27.5411 -20.0666
28 C1b C 28.5100 -22.3989
29 C5x C 28.5107 -17.7359
30 O5x O 27.9760 -16.4531
31 O1a O 26.4203 -20.8055
32 C1a C 31.7566 -17.4415
33 C1a C 32.1085 -18.7083
34 C5x C 29.8749 -19.6612
35 C2c C 23.9169 -22.6661
36 C1a C 22.7062 -23.3620
37 C2a C 23.9195 -21.4797
38 C1a C 26.3406 -25.5823
39 C2a C 28.7520 -25.5823
40 C1b C 32.1169 -20.7279
41 C2b C 32.1252 -21.9644
42 C2c C 33.3089 -22.6472
43 C1a C 33.3030 -24.0175
44 C1a C 34.4866 -21.9585
BOND 46
1 10 5 1
2 12 14 2
3 5 6 1
4 6 7 2
5 10 22 1
6 10 29 1
7 22 23 1
8 34 25 2
9 23 26 1
10 24 27 1
11 24 28 1
12 28 1 1
13 24 26 1
14 13 27 2
15 7 8 1
16 13 29 1
17 7 9 1
18 29 30 2
19 1 2 1 #Down
20 27 31 1
21 11 15 2
22 22 32 1
23 15 16 1
24 22 33 1
25 10 34 1 #Down
26 16 17 2
27 24 34 1 #Down
28 17 18 1
29 3 35 1
30 18 19 2
31 35 36 1
32 19 11 1
33 35 37 2
34 3 4 1
35 38 2 1
36 16 20 1
37 2 39 2
38 4 1 1
39 23 40 1 #Up
40 17 21 1
41 11 12 1
42 12 13 1
43 40 41 1
44 41 42 2
45 42 43 1
46 42 44 1
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