ATOM 37
1 C1y C 14.9800 -19.0400
2 C1y C 18.3317 -16.6636
3 C8y C 22.8299 -18.6758
4 C8y C 22.8243 -20.0729
5 C1x C 24.1633 -18.2506
6 C8x C 21.6307 -17.9828
7 N1x N 24.1517 -20.5098
8 C8x C 21.6307 -20.7660
9 C1y C 24.9782 -19.3860
10 C8y C 20.4196 -18.6758
11 C8y C 20.4196 -20.0729
12 C6a C 26.3698 -19.3919
13 O2a O 19.2144 -17.9828
14 O1a O 19.2144 -20.7660
15 O6a O 27.0626 -20.5971
16 O6a O 27.0742 -18.1866
17 O2x O 18.9471 -15.4137
18 C1y C 18.1724 -14.2557
19 C1y C 16.7822 -14.3478
20 C1y C 16.1668 -15.5977
21 C1y C 16.9416 -16.7555
22 C1b C 18.8036 -12.9735
23 O1a O 14.7808 -15.6894
24 O1a O 16.0207 -13.2094
25 O2a O 16.3342 -17.9886
26 O1a O 17.8184 -11.9884
27 O2x O 13.6835 -18.5116
28 C1y C 12.5777 -19.3702
29 C1y C 12.7683 -20.7571
30 C1y C 14.0648 -21.2855
31 C1y C 15.1706 -20.4270
32 C6a C 11.3073 -18.8526
33 O1a O 14.2548 -22.6678
34 O1a O 16.4883 -20.9639
35 O1a O 11.6288 -21.6416
36 O6a O 10.2330 -19.6870
37 O6a O 11.1136 -17.4484
BOND 40
1 3 4 1
2 3 5 1
3 3 6 2
4 4 7 1
5 4 8 2
6 5 9 1
7 6 10 1
8 8 11 1
9 9 12 1 #Up
10 10 13 1
11 11 14 1
12 12 15 1
13 12 16 2
14 7 9 1
15 10 11 2
16 2 13 1 #Up
17 2 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 2 21 1
23 18 22 1 #Up
24 20 23 1 #Up
25 19 24 1 #Down
26 21 25 1 #Down
27 22 26 1
28 1 25 1 #Up
29 1 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 1 31 1
35 28 32 1 #Up
36 30 33 1 #Up
37 31 34 1 #Down
38 29 35 1 #Down
39 32 36 1
40 32 37 2
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