ATOM 40
1 C1y C 37.6218 -20.1103
2 C1y C 38.0408 -18.8535
3 C1z C 36.2952 -20.1103
4 O2a O 39.2976 -21.2275
5 O2a O 39.5769 -17.5269
6 O2x O 36.9236 -18.0855
7 C1y C 35.8763 -18.8535
8 C1b C 34.9686 -20.8784
9 O1a O 36.2952 -21.3672
10 C1y C 38.1804 -23.3222
11 C1y C 39.5071 -15.9209
12 C1a C 34.6893 -18.5044
13 O1a O 33.8514 -20.1802
14 C1y C 38.1804 -24.6489
15 O2x O 37.0633 -22.6240
16 C1y C 38.3899 -15.2227
17 C1y C 40.6941 -15.2227
18 C1y C 37.0633 -25.2773
19 C1y C 35.9461 -23.3222
20 C1y C 38.3899 -13.8961
21 N1b N 36.5745 -16.0606
22 C1y C 40.6941 -13.8961
23 O1a O 41.8112 -15.8511
24 C1y C 35.9461 -24.6489
25 O1a O 37.0633 -26.6039
26 C1b C 34.8289 -22.6240
27 C1y C 39.5071 -13.2677
28 O1a O 37.4822 -13.1978
29 C2c C 35.4573 -15.4322
30 O1a O 41.8112 -13.2677
31 O1a O 34.7591 -25.2773
32 O1a O 33.6419 -23.3222
33 O7a O 39.5071 -11.9410
34 N1a N 34.2703 -16.0606
35 N2a N 35.4573 -14.1055
36 C7a C 38.3899 -11.3126
37 O6a O 38.3899 -9.9860
38 N1a N 37.2727 -11.9410
39 N1b N 39.4373 -25.2773
40 C1a C 40.6243 -24.5790
BOND 42
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 3 9 1
9 10 4 1 #Up
10 11 5 1 #Down
11 7 12 1 #Down
12 8 13 1
13 10 14 1
14 10 15 1
15 11 16 1
16 11 17 1
17 14 18 1
18 15 19 1
19 16 20 1
20 16 21 1 #Up
21 17 22 1
22 17 23 1 #Up
23 18 24 1
24 18 25 1 #Down
25 19 26 1 #Down
26 20 27 1
27 20 28 1 #Down
28 21 29 1
29 22 30 1 #Down
30 24 31 1 #Up
31 26 32 1
32 27 33 1 #Up
33 29 34 1
34 29 35 2
35 33 36 1
36 36 37 2
37 36 38 1
38 6 7 1
39 19 24 1
40 22 27 1
41 14 39 1 #Up
42 39 40 1
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