ATOM 43
1 C1y C 37.8019 -21.3263
2 C1y C 38.2102 -20.0772
3 C1y C 36.4923 -21.3263
4 O2a O 39.4775 -22.4257
5 O2a O 39.7419 -18.7197
6 O2x O 37.1412 -19.3144
7 C1y C 36.0961 -20.0772
8 C1b C 35.1892 -22.0532
9 C1y C 38.3964 -24.4977
10 C1y C 39.7118 -17.0979
11 C1a C 34.8527 -19.6687
12 O1a O 34.0658 -21.3864
13 C1y C 38.3964 -25.8190
14 O2x O 37.2491 -23.8432
15 C1y C 38.5825 -16.4313
16 C1y C 40.8590 -16.4313
17 C1y C 37.2491 -26.4858
18 C1y C 36.1200 -24.4977
19 C1y C 38.5825 -15.1099
20 N1b N 36.7568 -17.2480
21 C1y C 40.8590 -15.1099
22 O1a O 41.9882 -17.0800
23 C1y C 36.1200 -25.8190
24 O2b O 37.2491 -27.7952
25 C1b C 34.9909 -23.8432
26 C1y C 39.7118 -14.4551
27 O1a O 37.6683 -14.3789
28 C2c C 35.6275 -16.5934
29 O1a O 41.9882 -14.4492
30 O1a O 34.9847 -26.4679
31 O1a O 33.8556 -24.4977
32 N1b N 39.7058 -13.1458
33 N1a N 34.4924 -17.2420
34 N2a N 35.6335 -15.2842
35 C2c C 38.5767 -12.4971
36 N2a N 38.5706 -11.1938
37 N1a N 37.4474 -13.1518
38 N1b N 39.6007 -26.5121
39 C1a C 40.8073 -25.8129
40 P1b P 37.2491 -29.1952
41 O1c O 38.6491 -29.1952
42 O1c O 35.8491 -29.1952
43 O1c O 37.2491 -30.5952
BOND 45
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 9 4 1 #Up
9 10 5 1 #Down
10 7 11 1 #Down
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 13 17 1
17 14 18 1
18 15 19 1
19 15 20 1 #Up
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 17 24 1 #Down
24 18 25 1 #Down
25 19 26 1
26 19 27 1 #Down
27 20 28 1
28 21 29 1 #Down
29 23 30 1 #Up
30 25 31 1
31 26 32 1 #Up
32 28 33 1
33 28 34 2
34 32 35 1
35 35 36 2
36 35 37 1
37 6 7 1
38 18 23 1
39 21 26 1
40 13 38 1 #Up
41 38 39 1
42 24 40 1
43 40 41 1
44 40 42 1
45 40 43 2
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