ATOM 39
1 C8y C 28.4250 -14.7081
2 N2y N 29.7479 -15.1452 #+
3 C8y C 28.4367 -13.3151
4 C8x C 27.2070 -15.3899
5 C1y C 30.5813 -14.0204
6 C2b C 29.7479 -16.5497
7 C1x C 29.7655 -12.8840
8 C8x C 27.2360 -12.6041
9 C8y C 26.0122 -14.6848
10 C6a C 31.9800 -14.0145
11 C2b C 30.9602 -17.2550
12 C8y C 26.0239 -13.2918
13 O2a O 24.7941 -15.3666
14 O6a O 32.6794 -12.8023
15 O6a O 32.6794 -15.2326 #-
16 C2y C 30.9602 -18.6594
17 O1a O 24.8058 -12.5924
18 C1y C 23.5937 -16.0776
19 C1x C 29.7421 -19.3531
20 C2x C 32.1724 -19.3531
21 O2x O 22.3756 -15.4016
22 C1y C 23.6227 -17.4823
23 C1y C 29.7421 -20.7576
24 C2y C 32.1724 -20.7576
25 C1y C 21.1749 -16.1243
26 C1y C 22.4280 -18.1991
27 O1a O 24.8525 -18.1641
28 N1x N 30.9602 -21.4627
29 C6a C 28.5298 -21.4627
30 C6a C 33.3847 -21.4627
31 C1y C 21.1225 -17.5230
32 C1b C 19.9452 -15.4482
33 O1a O 22.4513 -19.6035
34 O6a O 27.3119 -20.7576
35 O6a O 28.5298 -22.8614
36 O6a O 33.3847 -22.8614
37 O6a O 34.6028 -20.7576
38 O1a O 19.9978 -18.2398
39 O1a O 18.7447 -16.1709
BOND 42
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 8 12 2
12 9 13 1
13 10 14 2
14 10 15 1
15 11 16 2
16 12 17 1
17 18 13 1 #Up
18 16 19 1
19 16 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 23 29 1 #Down
29 24 30 1
30 25 31 1
31 25 32 1 #Up
32 26 33 1 #Up
33 29 34 1
34 29 35 2
35 30 36 1
36 30 37 2
37 31 38 1 #Down
38 32 39 1
39 5 7 1
40 9 12 1
41 24 28 1
42 26 31 1
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