ATOM 28
1 C1z C 25.9188 -18.4346
2 C1y C 26.7187 -19.4564
3 C8y C 24.7220 -18.9368
4 C5x C 26.3976 -17.2437
5 C1x C 24.9964 -17.5239
6 C1y C 27.9915 -19.2695
7 N1y N 26.2458 -20.6123
8 C8y C 24.7045 -20.1745
9 C8x C 23.6594 -18.3003
10 C1x C 27.6763 -17.0568
11 O5x O 25.4752 -16.3153
12 C1x C 24.5527 -15.2878
13 C1y C 28.4761 -18.0726
14 C1y C 28.5928 -20.4313
15 C5x C 26.9874 -21.5349
16 C8y C 23.6245 -20.7642
17 C8x C 22.5853 -18.9134
18 N1y N 26.2517 -14.6397
19 C2y C 29.7197 -17.7574
20 C1x C 28.1259 -21.4006
21 O2x O 29.8714 -20.6533
22 O5x O 26.4852 -22.6383
23 C8x C 22.6319 -20.1453
24 O1a O 23.6126 -22.0602
25 C1x C 28.0032 -15.1068
26 C1a C 26.2517 -12.8123
27 C2x C 30.7821 -18.5106
28 C1x C 30.7765 -19.7950
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1
16 9 17 2
17 12 18 1
18 13 19 1
19 14 20 1
20 14 21 1
21 15 22 2
22 16 23 2
23 16 24 1
24 18 25 1
25 18 26 1
26 19 27 2
27 21 28 1
28 7 8 1
29 10 13 1
30 15 20 1
31 17 23 1
32 19 25 1
33 27 28 1
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