ATOM 53
1 N1a N 9.2241 -15.5133
2 C1c C 10.4121 -14.8145
3 C5a C 11.6699 -15.5133
4 N1b N 12.8578 -14.8145
5 C1c C 13.9759 -15.5133
6 C5a C 15.2337 -14.8145
7 N1b N 16.4217 -15.5133
8 C1c C 17.6096 -14.8145
9 C5a C 18.7976 -15.5133
10 N1b N 19.9855 -14.8145
11 C1c C 21.1734 -15.5133
12 C5a C 22.4313 -14.8145
13 N1b N 23.6192 -15.5133
14 C1c C 24.7373 -14.8145
15 C6a C 25.9252 -15.5133
16 C1b C 10.4121 -13.4868
17 C1b C 11.6000 -12.7880
18 S2a S 11.6000 -11.3904
19 C1a C 12.7880 -10.6916
20 O5a O 11.6699 -16.9108
21 O5a O 15.2337 -13.4868
22 O5a O 18.7976 -16.9108
23 O5a O 22.4313 -13.4868
24 C1b C 13.9759 -16.9108
25 C1b C 15.1639 -17.6096
26 C1b C 15.1639 -19.0072
27 N1b N 16.3518 -19.6361
28 C2c C 16.3518 -21.0337
29 N1a N 17.5397 -21.7325
30 N2a N 15.1639 -21.7325
31 C1b C 17.6096 -13.0675
32 C8y C 18.7277 -12.3687
33 C8x C 19.9156 -13.0675
34 C8x C 21.1734 -12.3687
35 C8y C 21.1734 -10.9711
36 C8y C 19.9855 -10.2723
37 C8x C 18.7277 -10.9711
38 O1a O 22.3614 -10.2723
39 C1b C 21.1734 -17.6096
40 C1c C 22.3614 -18.3084
41 C1a C 23.5493 -17.6096
42 C1a C 22.3614 -19.6361
43 C1b C 24.7373 -13.4868
44 C8y C 25.9252 -12.7880
45 N5x N 27.1830 -13.3470
46 C8x C 28.0915 -12.2988
47 N4x N 27.3927 -11.1109
48 C8x C 26.0650 -11.3904
49 O6a O 27.1132 -14.8145
50 O6a O 25.9252 -16.9108
51 N2b N 20.0030 -9.1001 #+
52 O3a O 21.6571 -8.1281 #-
53 O3a O 18.5321 -8.1123
BOND 54
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 1 #Up
16 16 17 1
17 17 18 1
18 18 19 1
19 3 20 2
20 6 21 2
21 9 22 2
22 12 23 2
23 5 24 1 #Down
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 28 30 2
30 8 31 1 #Up
31 31 32 1
32 32 33 2
33 33 34 1
34 34 35 2
35 35 36 1
36 36 37 2
37 32 37 1
38 35 38 1
39 11 39 1 #Down
40 39 40 1
41 40 41 1
42 40 42 1
43 14 43 1 #Up
44 43 44 1
45 44 45 1
46 45 46 2
47 46 47 1
48 47 48 1
49 44 48 2
50 15 49 1
51 15 50 2
52 36 51 1
53 51 52 1
54 51 53 2
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