ATOM 40
1 C5a C 30.0680 -13.9809
2 C8y C 31.2754 -14.6859
3 O5a O 30.0680 -12.5835
4 C8x C 31.2811 -16.0888
5 C8x C 32.4838 -13.9866
6 C8y C 32.4895 -16.7869
7 C8x C 33.6969 -14.6802
8 C8y C 33.7028 -16.0831
9 C1b C 32.4895 -18.1829
10 O1a O 34.9099 -16.7683
11 C2b C 33.7028 -18.8881
12 C2c C 33.7028 -20.2855
13 C1a C 34.9099 -20.9834
14 C1a C 32.4895 -20.9834
15 N1b N 28.8400 -14.6908
16 O2a O 21.3047 -12.0482
17 C1y C 20.1326 -12.7179
18 C1y C 20.1326 -14.0906
19 O2x O 18.9428 -12.0482
20 C1y C 18.9428 -14.7933
21 O1a O 21.2051 -15.0503
22 C1z C 17.7780 -12.7179
23 C1y C 17.7780 -14.0906
24 O1a O 18.9428 -16.1540
25 C1a C 16.9507 -11.3035
26 C1a C 16.3693 -12.9952
27 O1a O 16.4944 -14.9237
28 C8y C 24.8455 -12.7122
29 C8y C 24.8455 -14.0849
30 C8y C 23.6476 -12.0423
31 O7x O 26.0421 -12.0249
32 C8y C 26.0480 -14.7816
33 C8x C 23.6476 -14.7874
34 C8y C 22.4697 -12.7122
35 C1a C 23.6418 -10.6873
36 C8y C 27.2375 -12.7005
37 C8y C 27.2491 -14.0906
38 O1a O 26.0480 -16.1424
39 C8x C 22.4697 -14.0849
40 O6a O 28.4098 -12.0307
BOND 43
1 9 11 1
2 11 12 2
3 12 13 1
4 12 14 1
5 7 8 2
6 1 15 1
7 1 2 1
8 1 3 2
9 2 4 1
10 2 5 2
11 4 6 2
12 5 7 1
13 6 8 1
14 6 9 1
15 8 10 1
16 17 18 1
17 17 19 1
18 18 20 1
19 18 21 1 #Down
20 19 22 1
21 20 23 1
22 20 24 1 #Down
23 22 25 1
24 22 26 1
25 23 27 1 #Up
26 22 23 1
27 17 16 1 #Up
28 28 29 2
29 28 30 1
30 28 31 1
31 29 32 1
32 29 33 1
33 30 34 2
34 30 35 1
35 31 36 1
36 32 37 2
37 32 38 1
38 33 39 2
39 34 16 1
40 36 40 2
41 37 15 1
42 34 39 1
43 36 37 1
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