ATOM 39
1 C1y C 29.5419 -21.2563
2 C1y C 29.9502 -20.0072
3 C1y C 28.2323 -21.2563
4 O2a O 31.2175 -22.3557
5 O2a O 31.4819 -18.6497
6 O2x O 28.8812 -19.2444
7 C1y C 27.8361 -20.0072
8 C1b C 26.9292 -21.9832
9 C1y C 30.1364 -24.4277
10 C1y C 31.4518 -17.0279
11 C1a C 26.5927 -19.5987
12 O1a O 25.8058 -21.3164
13 C1y C 30.1364 -25.7490
14 O2x O 28.9891 -23.7732
15 C1y C 30.3225 -16.3613
16 C1y C 32.5990 -16.3613
17 C1y C 28.9891 -26.4158
18 C1y C 27.8600 -24.4277
19 C1y C 30.3225 -15.0399
20 N1b N 28.4968 -17.1780
21 C1y C 32.5990 -15.0399
22 O1a O 33.7282 -17.0100
23 C1y C 27.8600 -25.7490
24 O1a O 28.9891 -27.7252
25 C1b C 26.7309 -23.7732
26 C1y C 31.4518 -14.3851
27 O1a O 29.4083 -14.3089
28 C2c C 27.3675 -16.5234
29 O1a O 33.7282 -14.3792
30 O1a O 26.7247 -26.3979
31 O1a O 25.5956 -24.4277
32 N1b N 31.4458 -13.0758
33 N1a N 26.2324 -17.1720
34 N2a N 27.3735 -15.2142
35 C2c C 30.3167 -12.4271
36 N2a N 30.3106 -11.1238
37 N1a N 29.1874 -13.0818
38 N1b N 31.3407 -26.4421
39 C1a C 32.5473 -25.7429
BOND 41
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
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