ATOM 46
1 C8y C 30.9655 -23.0913
2 C8x C 29.8524 -23.8317
3 N4x N 30.2105 -25.1947
4 C8y C 31.5501 -25.1852
5 C8y C 32.0161 -23.9242
6 C8x C 33.3399 -23.6983
7 C8x C 34.1944 -24.7277
8 C8x C 33.7286 -25.9887
9 C8x C 32.4048 -26.2146
10 C1y C 29.8062 -21.0767
11 N1x N 27.4849 -21.0642
12 C1y C 26.3237 -21.7307
13 C1b C 26.3195 -23.0763
14 C5x C 25.1741 -21.0515
15 O5x O 25.1695 -19.9454
16 C5x C 28.6489 -21.7366
17 O5x O 28.6452 -23.0822
18 C6a C 25.1572 -23.7396
19 N1x N 29.7978 -19.7313
20 C5x C 30.9594 -19.0549
21 O5x O 32.1221 -19.7170
22 C1y C 30.9369 -17.7093
23 C1b C 30.9651 -21.7456
24 N1x N 25.1340 -17.0543
25 C1y C 26.2894 -16.3780
26 C5x C 27.4518 -17.0472
27 O5x O 27.4165 -18.3927
28 N1x N 28.6071 -16.3709
29 C8y C 26.2863 -15.0394
30 C5x C 23.7882 -17.0822
31 O5x O 23.1112 -15.9340
32 C1b C 32.0897 -17.0298
33 C1c C 33.2543 -17.6887
34 C1a C 34.4140 -17.0091
35 C1a C 33.2661 -19.0342
36 O6a O 23.9949 -23.0643
37 O6a O 25.1503 -25.0780
38 N1y N 23.7770 -21.0776
39 C1y C 23.0322 -19.9185
40 C1x C 21.7005 -20.2661
41 C1x C 21.6158 -21.6416
42 C1x C 22.9018 -22.1438
43 S2x S 27.3717 -14.2364
44 C8x C 26.9518 -12.9669
45 C8x C 25.6132 -12.9701
46 C8x C 25.2062 -14.2413
BOND 50
1 5 1 1
2 10 23 1 #Down
3 4 3 1
4 4 5 2
5 11 12 1
6 12 13 1 #Down
7 25 26 1
8 26 27 2
9 26 28 1
10 24 25 1
11 12 14 1
12 25 29 1 #Down
13 14 15 2
14 24 30 1
15 14 38 1
16 30 31 2
17 28 22 1
18 39 30 1
19 5 6 1
20 22 32 1 #Up
21 11 16 1
22 32 33 1
23 6 7 2
24 33 34 1
25 16 17 2
26 33 35 1
27 16 10 1
28 18 36 1
29 7 8 1
30 18 37 2
31 13 18 1
32 8 9 2
33 10 19 1
34 9 4 1
35 19 20 1
36 38 39 1
37 39 40 1 #Up
38 40 41 1
39 41 42 1
40 42 38 1
41 23 1 1
42 1 2 2
43 20 21 2
44 2 3 1
45 20 22 1
46 29 43 1
47 43 44 1
48 44 45 2
49 45 46 1
50 46 29 2
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