ATOM 40
1 C1y C 25.9762 -20.3187
2 C5x C 27.1371 -19.6432
3 N1x N 28.2980 -20.3117
4 C1y C 29.4660 -19.6361
5 C1b C 30.6269 -20.3047
6 C8y C 31.7878 -19.6292
7 C8x C 25.4781 -15.4113
8 C8y C 25.4781 -16.7551
9 C8x C 26.6452 -17.4305
10 C8x C 27.8053 -16.7551
11 C8y C 27.8053 -15.4113
12 C8x C 26.6452 -14.7428
13 C1y C 28.9699 -14.7438
14 O2x O 24.3070 -17.4312
15 C1y C 24.3079 -19.3519
16 C1x C 30.6403 -15.7085
17 N1x N 30.6376 -17.6335
18 C5x C 29.4630 -18.2924
19 O5x O 27.1341 -18.2995
20 O5x O 28.2958 -17.6098
21 N1b N 25.9774 -21.6626
22 C1c C 23.1397 -20.0314
23 C5a C 27.1422 -22.3299
24 O5a O 28.3058 -21.6606
25 C8x C 32.9438 -20.3053
26 C8x C 34.1047 -19.6299
27 C8x C 34.1032 -18.2888
28 C8x C 32.9406 -17.6164
29 C8x C 31.7797 -18.2919
30 C1c C 27.1432 -23.6808
31 N1c N 25.9796 -24.3502
32 C1c C 28.3080 -24.3483
33 C1b C 29.4717 -23.6790
34 C1a C 30.6435 -24.3465
35 C1a C 25.9806 -25.7010
36 C1a C 24.8148 -23.6827
37 C1a C 28.3092 -25.6992
38 O1a O 28.9714 -13.3929
39 C1a C 21.9746 -19.3574
40 C1a C 23.1412 -21.3754
BOND 42
1 8 9 2
2 18 20 2
3 9 10 1
4 1 21 1 #Up
5 10 11 2
6 15 22 1 #Down
7 11 12 1
8 21 23 1
9 12 7 2
10 23 24 2
11 1 2 1
12 11 13 1
13 3 4 1
14 8 14 1
15 6 25 2
16 25 26 1
17 26 27 2
18 27 28 1
19 28 29 2
20 29 6 1
21 14 15 1
22 23 30 1
23 4 5 1 #Down
24 30 31 1 #Down
25 13 16 1
26 30 32 1
27 15 1 1
28 32 33 1
29 2 3 1
30 33 34 1
31 16 17 1
32 31 35 1
33 5 6 1
34 31 36 1
35 4 18 1
36 32 37 1 #Down
37 18 17 1
38 13 38 1
39 7 8 1
40 22 39 1
41 2 19 2
42 22 40 1
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