ATOM 38
1 C1x C 13.4400 -17.1500
2 N1y N 13.4400 -18.5500
3 C5a C 14.7000 -19.1800
4 C8y C 15.8900 -18.4800
5 O5a O 14.7000 -20.5800
6 C8x C 16.3100 -17.1500
7 N4x N 17.0100 -19.3200
8 C8y C 17.7100 -17.1500
9 C8y C 18.1300 -18.4800
10 C8x C 18.6200 -16.1000
11 C8x C 19.5300 -18.7600
12 C8y C 20.0200 -16.3800
13 C8x C 20.4400 -17.7100
14 N1b N 20.8600 -15.3300
15 C8y C 22.7500 -16.8700
16 C5a C 22.2600 -15.6100
17 C8x C 24.0800 -17.1500
18 O5a O 23.1700 -14.5600
19 O2x O 22.0500 -18.1300
20 C8y C 23.0300 -19.1800
21 C8y C 24.2900 -18.5500
22 C1y C 12.1100 -16.7300
23 C1z C 11.3400 -17.8500
24 C2y C 12.1800 -18.9700
25 C8y C 9.9400 -18.0600
26 C8y C 9.3100 -19.3900
27 C5x C 10.2200 -20.4400
28 C2x C 11.6200 -20.3000
29 O5x O 9.4500 -21.7000
30 C1x C 10.8500 -16.6600
31 C8y C 8.7500 -17.1500
32 C8x C 7.5600 -17.8500
33 N4x N 7.8400 -19.2500
34 C1a C 8.7500 -15.7500
35 C8x C 22.9461 -20.5775
36 C8x C 24.1144 -21.3489
37 C8x C 25.3744 -20.7189
38 C8x C 25.4583 -19.3214
BOND 45
1 2 3 1
2 3 4 1
3 3 5 2
4 4 6 2
5 4 7 1
6 6 8 1
7 7 9 1
8 8 10 2
9 9 11 2
10 10 12 1
11 11 13 1
12 12 14 1
13 1 2 1
14 8 9 1
15 12 13 2
16 15 16 1
17 16 14 1
18 15 17 2
19 16 18 2
20 15 19 1
21 19 20 1
22 20 21 2
23 17 21 1
24 1 22 1
25 22 23 1
26 23 24 1
27 2 24 1
28 23 25 1
29 25 26 2
30 26 27 1
31 27 28 1
32 24 28 2
33 27 29 2
34 30 23 1
35 30 22 1
36 25 31 1
37 31 32 2
38 32 33 1
39 26 33 1
40 31 34 1
41 20 35 1
42 35 36 2
43 36 37 1
44 37 38 2
45 21 38 1
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