ATOM 46
1 N1y N 28.5101 -20.1817
2 C5a C 27.2986 -19.4771
3 C1c C 26.0873 -20.1759
4 C1c C 24.8757 -19.4713
5 O1a O 26.0814 -21.5738
6 C1b C 24.8816 -18.0676
7 N1b N 23.6644 -20.1644
8 C8y C 26.0930 -17.3630
9 C5a C 22.4646 -19.4654
10 C8x C 27.3045 -16.6641
11 C8x C 24.8757 -16.6758
12 C1c C 21.2532 -20.1527
13 O5a O 22.4646 -18.0619
14 C8x C 27.2986 -15.2605
15 C8x C 24.8700 -15.2720
16 N1b N 20.0419 -19.4538
17 C1b C 21.2474 -21.5505
18 C8x C 26.0756 -14.5616
19 C5a C 18.8304 -20.1469
20 S2a S 22.4588 -22.2610
21 C1b C 17.6248 -19.4538
22 O5a O 18.8304 -21.5445
23 C1a C 22.4588 -23.6589
24 O5a O 27.3015 -18.1027
25 C1x C 28.6535 -21.5904
26 S2x S 30.0376 -21.8892
27 C1x C 30.7496 -20.6653
28 C1y C 29.8055 -19.6100
29 C5a C 30.0923 -18.2791
30 N1b N 31.4408 -17.8444
31 O5a O 29.0895 -17.3716
32 C1d C 32.4725 -18.7777
33 C1a C 33.4609 -17.7893
34 C1a C 31.4840 -19.7662
35 C1a C 33.4864 -19.7917
36 O2a O 16.4147 -20.1505
37 C8y C 15.2035 -19.4493
38 C8x C 15.2048 -18.0331
39 C8x C 13.9949 -17.3330
40 C8x C 12.7836 -18.0309
41 C8y C 12.7824 -19.4471
42 C8y C 13.9924 -20.1471
43 C8x C 11.5694 -20.1460
44 N5x N 11.5681 -21.5460
45 C8x C 12.7781 -22.2460
46 C8x C 13.9912 -21.5471
BOND 49
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1 #Up
5 4 6 1 #Up
6 4 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 8 11 2
11 9 12 1
12 9 13 2
13 10 14 2
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 14 18 1
18 16 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 15 18 2
24 2 24 2
25 1 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 1 28 1
30 28 29 1 #Down
31 29 30 1
32 29 31 2
33 30 32 1
34 32 33 1
35 32 34 1
36 32 35 1
37 21 36 1
38 36 37 1
39 37 38 2
40 38 39 1
41 39 40 2
42 40 41 1
43 41 42 2
44 37 42 1
45 41 43 1
46 43 44 2
47 44 45 1
48 45 46 2
49 42 46 1
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