ATOM 38
1 C1y C 22.6800 -17.2900
2 C1y C 21.2800 -17.2900
3 C1y C 23.1000 -18.6200
4 N1x N 23.1000 -15.9600
5 N1x N 20.8600 -15.9600
6 C1x C 20.8600 -18.6200
7 S2x S 21.9800 -19.4600
8 C1b C 24.2900 -19.3200
9 C5x C 21.9800 -15.1200
10 C1b C 25.5500 -18.6200
11 O5x O 21.9800 -13.7200
12 C1b C 26.7400 -19.3200
13 C1b C 27.9300 -18.6200
14 C7a C 29.1200 -19.3200
15 O7a O 30.3800 -18.6200
16 O6a O 29.1200 -20.7200
17 P1b P 31.7800 -18.6200
18 O2b O 33.1800 -18.6200
19 O1c O 31.7800 -20.0200
20 O1c O 31.7800 -17.2200
21 C1b C 34.3924 -17.9200
22 C1y C 35.6049 -18.6200
23 C1y C 36.0442 -19.9443
24 C1y C 37.4442 -19.9378
25 C1y C 37.8706 -18.6044
26 O2x O 36.7342 -17.7867
27 N4y N 39.1948 -18.1674
28 O1a O 35.2267 -21.0823
29 O1a O 38.2802 -21.0773
30 C8y C 40.3502 -18.9982
31 C8y C 41.4973 -18.1562
32 N5x N 41.0510 -16.8049
33 C8x C 39.6280 -16.8118
34 N5x N 40.5033 -20.3898
35 C8x C 41.7850 -20.9530
36 N5x N 42.9322 -20.1109
37 C8y C 42.7791 -18.7193
38 N1a N 43.9156 -17.8853
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 8 10 1
10 9 11 2
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 14 16 2
16 5 9 1
17 6 7 1
18 15 17 1
19 17 18 1
20 17 19 2
21 17 20 1
22 18 21 1
23 22 21 1 #Up
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 22 26 1
29 25 27 1 #Up
30 23 28 1 #Down
31 24 29 1 #Down
32 27 30 1
33 30 31 1
34 31 32 1
35 32 33 2
36 27 33 1
37 30 34 2
38 34 35 1
39 35 36 2
40 36 37 1
41 31 37 2
42 37 38 1
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