ATOM 45
1 C8y C 19.6130 -17.4886
2 C2y C 18.3524 -18.0345
3 N4x N 19.7794 -16.1063
4 C8y C 20.9645 -18.0042
5 C2y C 17.0549 -17.5135
6 C8y C 21.0486 -15.7924
7 C8y C 21.7824 -16.9556
8 C1y C 15.8312 -18.1312
9 N2x N 16.8360 -16.1434
10 C2x C 21.5458 -14.5555
11 N1x N 16.6698 -13.1796
12 C1y C 14.8486 -17.2154
13 C2y C 15.4921 -15.9185
14 C2y C 21.0368 -13.3128
15 C1z C 16.9157 -11.8095
16 C2y C 15.3695 -13.4222
17 C2x C 14.9333 -14.7008
18 C2y C 21.6611 -12.0637
19 N2x N 19.6726 -13.1071
20 C2y C 15.6670 -11.2289
21 C1y C 18.1646 -11.1374
22 C2y C 14.7153 -12.2161
23 C2y C 20.6800 -11.1126
24 C2y C 19.4490 -11.7560
25 C2b C 15.6551 -9.8280
26 C1a C 13.3276 -12.2161
27 C1a C 20.6610 -9.7185
28 C2a C 16.8558 -9.1208
29 C1b C 23.0302 -11.8340
30 C1a C 23.9629 -12.9668
31 C5x C 20.4886 -19.3281
32 C1b C 15.7752 -19.5024
33 C1b C 14.5610 -20.1322
34 C6a C 14.4978 -21.5036
35 O6a O 13.2836 -22.1406
36 O6a O 15.6560 -22.2377
37 C1a C 13.3853 -17.2828
38 C1a C 23.1171 -16.9501
39 C1y C 18.9548 -19.3725
40 O5x O 21.3274 -20.5972
41 C7a C 18.1534 -20.5970
42 O6a O 16.6910 -20.5855
43 O7a O 18.8143 -21.9099
44 C1a C 17.8656 -23.2738
45 O2x O 16.9157 -10.4104
BOND 51
1 14 18 1
2 14 19 1
3 15 20 1
4 15 21 1
5 16 22 1
6 18 23 2
7 19 24 2
8 20 25 1
9 22 26 1
10 23 27 1
11 6 7 2
12 12 13 1
13 16 17 2
14 20 22 2
15 21 24 1
16 23 24 1
17 25 28 2
18 18 29 1
19 29 30 1
20 1 2 1
21 4 31 1
22 1 3 1
23 8 32 1 #Up
24 1 4 2
25 32 33 1
26 2 5 2
27 33 34 1
28 3 6 1
29 34 35 1
30 4 7 1
31 34 36 2
32 5 8 1
33 12 37 1 #Down
34 5 9 1
35 7 38 1
36 6 10 1
37 8 12 1
38 2 39 1
39 39 31 1
40 9 13 2
41 31 40 2
42 10 14 2
43 39 41 1 #Down
44 11 15 1
45 41 42 2
46 11 16 1
47 41 43 1
48 13 17 1
49 43 44 1
50 15 45 1
51 21 45 1
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