ATOM 44
1 C8y C 21.0881 -20.4621
2 C1b C 19.8153 -21.0133
3 N4x N 21.1855 -19.0666
4 C8y C 22.4526 -20.9827
5 C8y C 18.5053 -20.4873
6 C8y C 22.5375 -18.7496
7 C8y C 23.2783 -19.9240
8 C8y C 17.2698 -21.1110
9 N4x N 18.2842 -19.1039
10 C2y C 23.0395 -17.5007
11 N1x N 18.1871 -16.1116
12 C8y C 16.2777 -20.1863
13 C8y C 16.9274 -18.8769
14 C2y C 22.5255 -16.2460
15 C5x C 18.3648 -14.7282
16 C1y C 16.8037 -16.3563
17 C1b C 16.3632 -17.6475
18 C1y C 23.1560 -14.9849
19 N1x N 21.1482 -16.0383
20 C2y C 17.1040 -14.1420
21 C6a C 19.8373 -13.7000
22 C2y C 16.1431 -15.1387
23 C1y C 22.1653 -14.0247
24 C1y C 20.9224 -14.6743
25 C1a C 17.0919 -12.7275
26 C2b C 14.7419 -15.1387
27 C1a C 22.1461 -12.6171
28 C1b C 24.5382 -14.7528
29 C1b C 25.4800 -15.8967
30 C1b C 17.2132 -22.4955
31 C1a C 15.9872 -23.1313
32 C1a C 14.8002 -20.2543
33 O6a O 19.8373 -12.2893
34 O5x O 19.6977 -14.5798
35 C2a C 14.0595 -13.9570
36 C1a C 22.8253 -22.3198
37 C5x C 24.6075 -19.0150
38 C5x C 24.3203 -17.5007
39 O5x O 25.9022 -19.5498
40 C6a C 26.8320 -15.6708
41 O6a O 18.4867 -13.6877
42 O6a O 27.7329 -16.7648
43 O6a O 27.3262 -14.3499
44 O5x O 25.2009 -16.4369
BOND 48
1 14 18 1
2 14 19 1
3 15 20 1
4 16 22 1
5 18 23 1
6 19 24 1
7 20 25 1
8 22 26 1
9 23 27 1 #Up
10 6 7 2
11 12 13 2
12 16 17 1
13 20 22 2
14 24 21 1 #Down
15 23 24 1
16 18 28 1 #Down
17 28 29 1
18 1 2 1
19 1 3 1
20 8 30 1
21 1 4 2
22 30 31 1
23 2 5 1
24 3 6 1
25 4 7 1
26 5 8 2
27 12 32 1
28 5 9 1
29 6 10 1
30 8 12 1
31 9 13 1
32 10 14 2
33 11 15 1
34 11 16 1
35 13 17 1
36 21 33 2
37 15 34 2
38 26 35 2
39 4 36 1
40 7 37 1
41 10 38 1
42 37 38 1
43 37 39 2
44 29 40 1
45 21 41 1
46 40 42 1
47 40 43 2
48 38 44 2
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