ATOM 46
1 C1z C 25.1171 -19.4018
2 C1z C 26.0510 -18.6547
3 C1y C 25.1171 -20.7034
4 C1y C 25.0996 -18.1061
5 C1y C 24.0023 -18.7540
6 C1y C 27.5975 -19.0633
7 C1x C 26.0102 -17.4348
8 O1a O 26.7573 -18.0068
9 C1z C 24.0023 -21.3512
10 C1y C 26.0918 -21.4796
11 C1y C 27.3117 -21.1819
12 N1y N 23.5938 -20.0672
13 C1x C 22.8642 -19.4018
14 O2a O 24.0023 -17.4582
15 C1z C 27.8369 -20.0030
16 C1y C 28.2279 -17.8727
17 C1z C 27.0666 -16.8804
18 C1x C 23.6054 -22.4718
19 C1y C 22.8642 -20.7034
20 C1b C 24.5043 -22.4718
21 O2a O 25.8117 -22.7462
22 C1a C 22.1931 -19.4893
23 C1a C 22.8701 -16.8045
24 C1y C 29.3485 -19.2967
25 O7a O 28.9518 -20.6450
26 O7a O 30.0840 -16.7754
27 C1y C 28.2981 -16.8747
28 O1a O 27.3408 -15.7482
29 O1a O 21.7435 -21.3512
30 O2a O 24.4927 -23.7734
31 O1a O 30.4809 -19.9329
32 C7a C 28.9518 -21.9407
33 C7a C 31.1522 -17.3824
34 O2a O 29.0627 -15.8998
35 C1a C 23.2788 -24.4796
36 C1a C 30.0782 -22.5944
37 O6a O 27.8252 -22.5886
38 C8y C 32.2028 -16.7754
39 O6a O 31.1522 -18.6022
40 C1a C 28.5549 -14.4992
41 C8x C 33.2532 -17.3824
42 C8x C 32.2028 -15.5555
43 C8x C 34.3155 -16.7754
44 C8x C 33.2532 -14.9427
45 C8x C 34.3097 -15.5555
46 C1a C 27.1361 -23.7724
BOND 52
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 11 4 1 #Down
11 4 12 1
12 5 13 1
13 5 14 1 #Down
14 6 15 1
15 6 16 1
16 7 17 1
17 9 18 1 #Down
18 9 19 1
19 9 20 1 #Up
20 10 21 1 #Down
21 12 22 1
22 14 23 1
23 15 24 1
24 15 25 1 #Up
25 16 26 1 #Down
26 17 27 1
27 17 28 1 #Up
28 19 29 1 #Down
29 20 30 1
30 24 31 1 #Down
31 25 32 1
32 26 33 1
33 27 34 1 #Up
34 30 35 1
35 32 36 1
36 32 37 2
37 33 38 1
38 33 39 2
39 34 40 1
40 38 41 2
41 38 42 1
42 41 43 1
43 42 44 2
44 43 45 2
45 10 11 1
46 11 15 1
47 12 18 1
48 13 19 1
49 16 17 1
50 24 27 1
51 44 45 1
52 21 46 1
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