ATOM 44
1 C1z C 24.7116 -14.3967
2 C1y C 24.7406 -15.8125
3 C1z C 25.9177 -15.0137
4 C1x C 23.3784 -13.7797
5 O7a O 24.6300 -12.9925
6 C1y C 23.5646 -16.5995
7 C1b C 27.1298 -15.7136
8 C1a C 26.7098 -13.7378
9 C1y C 22.2715 -14.5598
10 C7a C 25.8478 -12.2813
11 C1z C 22.2945 -15.9697
12 C2x C 23.8673 -17.9745
13 O7a O 28.3474 -15.0020
14 C1a C 20.9371 -13.9426
15 C1b C 27.0656 -12.9868
16 O6a O 25.8421 -10.8714
17 C1y C 21.1407 -16.6053
18 O1a O 22.3532 -17.3035
19 C2y C 22.9756 -19.0513
20 C7a C 29.5654 -15.6903
21 C8y C 28.2775 -12.2697
22 C1z C 20.7100 -17.9267
23 C2x C 20.0160 -15.7718
24 C1x C 21.5715 -19.0399
25 C1b C 24.1875 -19.7570
26 C1c C 30.7715 -14.9788
27 O6a O 29.5537 -17.1000
28 C8x C 29.4896 -12.9751
29 C8x C 28.2775 -10.8771
30 C5x C 19.3058 -17.9208
31 O1a O 20.3304 -19.2843
32 C2y C 18.8798 -16.5936
33 O7a O 25.3996 -19.0399
34 C1b C 31.9892 -15.6844
35 C1a C 31.9775 -14.2745
36 C8x C 30.7017 -12.2754
37 C8x C 29.4896 -10.1786
38 O5x O 18.4782 -19.0513
39 C1a C 17.5397 -16.1444
40 C7a C 26.6174 -19.7512
41 C1a C 33.3351 -15.3177
42 C8x C 30.7017 -10.8771
43 C1a C 27.8352 -19.0339
44 O6a O 26.6117 -21.1552
BOND 48
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 3 7 1 #Down
7 3 8 1 #Up
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1
13 9 14 1 #Down
14 10 15 1
15 10 16 2
16 11 17 1
17 11 18 1 #Down
18 12 19 2
19 13 20 1
20 15 21 1
21 17 22 1
22 17 23 1
23 19 24 1
24 19 25 1
25 20 26 1
26 20 27 2
27 21 28 2
28 21 29 1
29 22 30 1
30 22 31 1 #Up
31 23 32 2
32 25 33 1
33 26 34 1
34 26 35 1
35 28 36 1
36 29 37 2
37 30 38 2
38 32 39 1
39 33 40 1
40 34 41 1
41 36 42 2
42 40 43 1
43 40 44 2
44 2 3 1
45 9 11 1
46 22 24 1
47 30 32 1
48 37 42 1
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