ATOM 38
1 C8y C 20.4971 -20.2246
2 C8y C 20.9213 -21.5588
3 S2x S 22.3213 -21.5677
4 C8y C 22.7624 -20.2390
5 N5x N 21.6350 -19.4089
6 N1y N 23.9928 -19.5854
7 C1x C 25.1698 -20.3231
8 C1x C 26.4068 -19.6675
9 C1y C 26.3875 -18.2684
10 C1x C 25.2805 -17.5307
11 C1x C 24.0435 -18.1863
12 C1y C 27.6185 -17.5985
13 C1x C 28.8224 -18.3351
14 C1x C 30.0523 -17.6662
15 N1x N 30.0179 -16.2667
16 C1x C 28.8840 -15.5301
17 C1x C 27.6541 -16.1990
18 C5a C 19.4376 -22.2600
19 N1b N 17.9451 -21.5600
20 C1b C 16.5227 -22.2600
21 C1c C 15.3103 -21.5600
22 C6a C 14.0978 -22.2600
23 O5a O 19.4403 -23.6599
24 N1b N 15.3803 -20.1601
25 S4a S 14.1876 -19.4600
26 C8y C 12.9876 -18.6801
27 O3c O 13.3399 -20.5568
28 O3c O 15.0520 -18.3415
29 C8x C 13.0131 -17.2900
30 C8x C 11.8144 -16.5668
31 C8x C 10.5887 -17.2432
32 C8x C 10.5618 -18.6414
33 C8x C 11.7605 -19.3646
34 O6a O 12.8647 -21.5478
35 O6a O 14.0977 -23.6597
36 C1c C 19.2976 -19.5300
37 C1a C 18.2951 -20.1600
38 C1a C 19.2985 -18.1302
BOND 41
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 6 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 12 17 1
20 2 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 18 23 2
26 21 24 1 #Up
27 24 25 1
28 25 26 1
29 25 27 2
30 25 28 2
31 26 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 26 33 1
37 22 34 1
38 22 35 2
39 1 36 1
40 36 37 1
41 36 38 1
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