ATOM 40
1 C8y C 29.7905 -16.8096
2 C8x C 31.1754 -16.8096
3 C8x C 31.8681 -15.6121
4 C8x C 31.1754 -14.4144
5 C8x C 29.7905 -14.4144
6 C8x C 29.0979 -15.6121
7 C1y C 24.9994 -16.8167
8 C1x C 24.0410 -15.3640
9 C1x C 24.0410 -16.3573
10 C1y C 22.6325 -15.3640
11 C1y C 22.5565 -16.3573
12 N1y N 21.8225 -14.4734
13 C1x C 21.6378 -15.9449
14 C1x C 21.1200 -17.0072
15 C1a C 21.8154 -13.0868
16 C1y C 26.1723 -21.6503
17 C1x C 25.2070 -20.1905
18 C1x C 25.2070 -21.1839
19 C1y C 23.7985 -20.1905
20 C1y C 23.7225 -21.1839
21 N1y N 22.9885 -19.2998
22 C1x C 22.8038 -20.7712
23 C1x C 22.2860 -21.8338
24 C1a C 22.9814 -17.9134
25 C1z C 28.5891 -17.5092
26 C1x C 27.3878 -18.1947
27 C1x C 27.3799 -19.5795
28 C1y C 28.5731 -20.2787
29 C8y C 29.7895 -18.2085
30 C8y C 29.8459 -19.5861
31 C8x C 30.9602 -20.2867
32 C8x C 32.2282 -19.6097
33 C8x C 32.1718 -18.2320
34 C8x C 30.9875 -17.5314
35 C7a C 28.5679 -21.6572
36 O7a O 27.3737 -22.3427
37 O6a O 29.7693 -22.3498
38 C7a C 27.3949 -16.8167
39 O7a O 26.2006 -17.5092
40 O6a O 27.3878 -15.4317
BOND 46
1 16 17 1
2 16 18 1
3 17 19 1
4 18 20 1
5 19 21 1
6 19 22 1
7 20 23 1
8 20 21 1
9 22 23 1
10 8 10 1
11 21 24 1
12 9 11 1
13 10 12 1
14 10 13 1
15 11 14 1
16 25 26 1
17 26 27 1
18 27 28 1
19 28 30 1
20 29 25 1
21 11 12 1
22 13 14 1
23 1 2 2
24 12 15 1
25 2 3 1
26 3 4 2
27 29 30 2
28 30 31 1
29 31 32 2
30 32 33 1
31 33 34 2
32 34 29 1
33 4 5 1
34 28 35 1 #Up
35 5 6 2
36 35 36 1
37 16 36 1 #Down
38 6 1 1
39 35 37 2
40 25 38 1 #Up
41 7 8 1
42 38 39 1
43 7 39 1 #Down
44 7 9 1
45 38 40 2
46 25 1 1 #Down
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