ATOM 42
1 C7a C 28.6366 -21.8094
2 C8y C 29.8449 -22.5070
3 O7a O 28.6084 -20.4283
4 O6a O 27.4354 -22.5070
5 C8y C 29.8374 -23.8874
6 C8x C 31.0386 -24.5778
7 C8y C 32.2397 -23.8874
8 C8x C 32.2397 -22.4992
9 C8y C 31.0386 -21.8016
10 C8y C 28.6275 -24.5746
11 C8x C 27.4317 -23.8815
12 C8x C 26.2287 -24.5689
13 C8x C 26.2252 -25.9569
14 C8y C 27.4244 -26.6577
15 C8x C 28.6275 -25.9633
16 O1a O 31.0335 -20.4136
17 O1a O 33.4409 -24.5778
18 O1a O 27.4207 -28.0457
19 C1y C 27.4204 -19.7367
20 C1y C 27.4097 -18.3441
21 C1y C 26.2272 -20.4508
22 O2a O 28.8627 -17.2657
23 O2x O 26.1905 -17.6574
24 C1y C 25.0079 -19.7712
25 O1a O 26.2378 -21.8434
26 C1y C 24.9924 -18.3759
27 O1a O 23.8048 -20.4797
28 C1b C 23.7731 -17.6892
29 O1a O 22.5813 -18.4025
30 C1y C 28.8642 -15.8782
31 C1y C 27.6642 -15.1725
32 O2x O 30.0760 -15.1785
33 C1y C 27.6702 -13.7801
34 C2b C 26.4528 -15.8723
35 C2x C 30.0760 -13.7860
36 C2y C 28.8759 -13.0932
37 C1x C 26.4585 -13.0932
38 C2a C 25.2467 -15.1609
39 C7x C 28.8759 -11.7008
40 C1x C 26.4585 -11.7008
41 O7x O 27.6702 -10.9953
42 O6a O 30.0819 -10.9953
BOND 46
1 2 5 2
2 5 6 1
3 10 11 2
4 11 12 1
5 19 3 1 #Down
6 19 20 1
7 19 21 1
8 20 22 1 #Up
9 20 23 1
10 21 24 1
11 21 25 1 #Up
12 23 26 1
13 24 27 1 #Down
14 26 28 1 #Up
15 24 26 1
16 12 13 2
17 28 29 1
18 13 14 1
19 14 15 2
20 15 10 1
21 6 7 2
22 9 16 1
23 7 8 1
24 7 17 1
25 8 9 2
26 14 18 1
27 9 2 1
28 1 3 1
29 5 10 1
30 1 2 1
31 1 4 2
32 30 31 1
33 30 32 1
34 31 33 1
35 31 34 1 #Down
36 32 35 1
37 33 36 1
38 33 37 1
39 34 38 2
40 36 39 1
41 37 40 1
42 39 41 1
43 39 42 2
44 35 36 2
45 40 41 1
46 30 22 1 #Up
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