ATOM 45
1 C1y C 22.4264 -13.4068
2 C1y C 23.0045 -14.5688
3 C1y C 23.3798 -13.8181
4 O2a O 21.1273 -13.4068
5 O2a O 21.7529 -14.2351
6 C1y C 24.6015 -13.8836
7 C1x C 24.8459 -13.1505
8 N1b N 23.7136 -12.5665
9 C1y C 21.1273 -12.1136
10 C1y C 20.2394 -16.1004
11 C1y C 25.5430 -14.3663
12 O1a O 24.2619 -15.1231
13 C5a C 24.7863 -11.4223
14 O2x O 20.4300 -10.8980
15 C1y C 20.1856 -11.6250
16 C1y C 19.8400 -17.3400
17 O2x O 19.1845 -15.3436
18 N1a N 26.1807 -13.2459
19 C1a C 24.4048 -10.1828
20 O5a O 26.0437 -11.7144
21 C1y C 18.9700 -11.5654
22 C1y C 18.5946 -12.3163
23 N1a N 19.2501 -12.8094
24 C1y C 18.5350 -17.3400
25 O1a O 20.6028 -18.3888
26 C1y C 18.1417 -16.1004
27 C1y C 18.0105 -11.1543
28 C1b C 19.3633 -10.3437
29 O1a O 17.3044 -12.5384
30 O2a O 16.5847 -19.0340
31 C1b C 17.0481 -15.6253
32 O1a O 16.9542 -11.5878
33 N1a N 20.6566 -9.8610
34 C1y C 15.0071 -17.9300
35 O1a O 16.1527 -16.4194
36 O2x O 14.3097 -16.7142
37 C1y C 14.0655 -17.4473
38 C1y C 12.8439 -17.3816
39 C1y C 12.4683 -18.1326
40 N1a N 13.7080 -18.7464
41 C1y C 11.8903 -16.9705
42 C1b C 12.8320 -19.0086
43 O1a O 11.1692 -18.1326
44 O1a O 10.7104 -17.2923
45 N1a N 11.7593 -19.6701
BOND 48
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
8 4 9 1
9 10 5 1 #Up
10 6 11 1
11 6 12 1
12 8 13 1
13 9 14 1
14 9 15 1
15 10 16 1
16 10 17 1
17 11 18 1
18 13 19 1
19 13 20 2
20 14 21 1
21 15 22 1
22 15 23 1
23 16 24 1
24 16 25 1 #Down
25 17 26 1
26 21 27 1
27 21 28 1
28 22 29 1
29 24 30 1 #Down
30 26 31 1 #Up
31 27 32 1
32 28 33 1
33 30 34 1
34 31 35 1
35 34 36 1
36 34 37 1
37 36 38 1
38 37 39 1
39 37 40 1
40 38 41 1
41 38 42 1
42 39 43 1
43 41 44 1
44 42 45 1
45 7 11 1
46 22 27 1
47 24 26 1
48 39 41 1
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