ATOM 46
1 C5x C 26.8463 -18.5164
2 C8y C 25.6777 -16.4777
3 C8y C 25.6719 -17.8335
4 C2x C 28.0196 -17.8436
5 C8y C 24.5115 -18.5114
6 C5x C 24.5129 -19.8696
7 C8y C 23.3226 -17.8487
8 C1c C 22.1597 -15.8185
9 C8y C 23.3260 -16.5030
10 C8y C 24.5036 -15.8378
11 C1c C 22.1708 -14.4689
12 C1c C 23.3482 -13.8039
13 C1c C 24.5386 -11.7954
14 C1c C 23.3619 -12.4569
15 C1c C 25.6945 -12.4807
16 O1a O 25.6792 -13.7516
17 C1c C 26.8664 -11.8235
18 C2b C 28.0162 -12.5071
19 C2c C 30.3193 -13.8716
20 C2b C 30.3361 -12.5359
21 C2b C 29.1844 -11.8538
22 C5a C 29.1510 -14.5248
23 C5x C 26.8267 -15.8114
24 C2y C 27.9683 -16.4964
25 N1b N 29.1269 -15.8531
26 O5x O 25.4710 -20.8336
27 C1c C 20.9854 -16.4918
28 C2b C 20.9820 -17.8424
29 C2b C 19.8078 -18.5076
30 O2a O 19.7985 -19.8545
31 C1z C 22.1307 -19.8708
32 O2x O 22.1400 -18.5238
33 C1a C 22.1221 -21.2229
34 C1a C 31.4810 -14.5641
35 O1a O 19.8104 -15.8097
36 C1a C 20.9830 -14.8577
37 C1a C 24.5454 -10.4397
38 C1a C 26.8818 -10.4678
39 O1a O 21.0059 -13.7814
40 O1a O 22.1931 -11.7575
41 O5x O 26.8369 -14.4557
42 O1a O 24.4913 -14.4789
43 C1a C 22.1641 -12.7754
44 O5x O 26.9104 -19.8723
45 O5a O 27.9911 -13.8289
46 C1a C 22.6904 -15.2549
BOND 49
1 9 10 2
2 23 24 1
3 24 25 1
4 25 22 1
5 12 11 1
6 6 26 2
7 11 8 1
8 28 27 1
9 23 2 1
10 5 3 1
11 15 13 1
12 13 14 1
13 28 29 2
14 29 30 1
15 31 32 1
16 30 31 1
17 31 6 1
18 14 12 1
19 31 33 1
20 5 7 2
21 19 34 1
22 6 5 1
23 27 35 1
24 2 10 1
25 15 16 1
26 8 36 1
27 14 40 1
28 18 17 1
29 13 37 1
30 17 15 1
31 17 38 1
32 32 7 1
33 11 39 1
34 7 9 1
35 8 27 1
36 2 3 2
37 22 19 1
38 19 20 2
39 23 41 2
40 20 21 1
41 10 42 1
42 21 18 2
43 12 43 1
44 3 1 1
45 1 44 2
46 1 4 1
47 22 45 2
48 4 24 2
49 9 46 1
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