ATOM 26
1 C2b C 32.1883 -17.5411
2 C1a C 32.7566 -18.8078
3 C1x C 27.2704 -18.7806
4 C1y C 28.3979 -17.9493
5 C1y C 29.7800 -18.1588
6 C1y C 30.6014 -19.2730
7 C1x C 30.3960 -20.6486
8 C5x C 29.2615 -21.4870
9 C8y C 27.8727 -21.2750
10 C8y C 27.0580 -20.1563
11 N4x N 27.0554 -22.4076
12 C8y C 25.7255 -21.9709
13 C8y C 25.7321 -20.5824
14 C8x C 24.5281 -19.8917
15 C8x C 23.3242 -20.5822
16 C8x C 23.3175 -21.9707
17 C8x C 24.5147 -22.6683
18 N1y N 28.5485 -16.5536
19 C1x C 29.9963 -16.2509
20 C2y C 30.8045 -17.4074
21 C7a C 29.4163 -19.0433
22 O7a O 28.0358 -19.0279
23 C1a C 27.1844 -16.1835
24 C1a C 28.3312 -20.3066
25 O5x O 29.2530 -22.8818
26 O6a O 29.8703 -19.7826
BOND 29
1 6 7 1
2 7 8 1
3 8 9 1
4 10 3 1
5 12 13 2
6 13 14 1
7 14 15 2
8 15 16 1
9 16 17 2
10 17 12 1
11 4 18 1
12 1 2 1
13 18 19 1
14 3 4 1
15 19 20 1
16 20 6 1
17 1 20 2
18 9 10 2
19 5 21 1
20 10 13 1
21 21 22 1
22 12 11 1
23 18 23 1
24 11 9 1
25 22 24 1
26 4 5 1 #Up
27 8 25 2
28 6 5 1 #Up
29 21 26 2
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