ATOM 45
1 C1y C 25.8612 -16.1027
2 C1y C 26.2565 -17.5186
3 C1y C 27.6588 -17.4884
4 C1y C 28.1300 -16.1671
5 O2x O 27.0190 -15.3107
6 O2b O 25.4010 -18.5585
7 O2a O 28.4530 -18.6496
8 C1b C 29.4663 -15.7743
9 N4y N 24.5351 -15.6300
10 C8x C 24.1443 -14.3008
11 N5x N 22.7596 -14.2618
12 C8y C 22.2944 -15.5666
13 C8y C 23.3917 -16.4122
14 C8y C 20.9973 -16.1008
15 N5x N 20.8113 -17.4912
16 C8x C 21.9086 -18.3368
17 N5x N 23.2058 -17.8027
18 N1a N 19.8906 -15.2477
19 P1b P 25.4010 -19.9613
20 O1c O 23.9983 -19.9613
21 O1c O 26.8038 -19.9613
22 O1c O 25.4010 -21.3641
23 C1y C 29.6678 -19.3510
24 C1y C 29.6680 -20.7683
25 C1y C 30.8829 -21.4696
26 C1y C 32.0977 -20.7681
27 C1y C 32.0976 -19.3508
28 O2x O 30.8826 -18.6495
29 O1a O 28.4434 -21.4756
30 C1b C 33.3150 -18.6477
31 O2b O 33.3218 -21.4747
32 O2b O 30.8830 -22.8722
33 O1a O 29.4663 -14.3715
34 P1b P 34.7246 -21.4747
35 O1c O 36.1274 -21.4747
36 O1c O 34.7246 -20.0719
37 O1c O 34.7246 -22.8775
38 O7a O 33.3150 -17.2449
39 C7a C 34.5131 -16.5533
40 C1a C 35.7167 -17.2485
41 O6a O 34.5132 -15.1573
42 P1b P 32.1236 -23.5887
43 O1c O 33.3384 -24.2901
44 O1c O 31.4250 -24.7983
45 O1c O 32.8280 -22.3690
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Up
7 3 7 1 #Up
8 4 8 1 #Down
9 1 9 1 #Down
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 9 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 13 17 2
20 14 18 1
21 6 19 1
22 19 20 1
23 19 21 2
24 19 22 1
25 23 7 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 24 29 1 #Up
33 27 30 1 #Down
34 26 31 1 #Up
35 25 32 1 #Down
36 8 33 1
37 31 34 1
38 34 35 1
39 34 36 2
40 34 37 1
41 30 38 1
42 38 39 1
43 39 40 1
44 39 41 2
45 32 42 1
46 42 43 1
47 42 44 1
48 42 45 2
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