ATOM 42
1 C7a C 25.9752 -14.0641
2 O6a O 26.6733 -12.8587
3 C1a C 24.5563 -14.0569
4 O7a O 26.6787 -15.2464
5 C7a C 24.0881 -18.2314
6 O7a O 25.3221 -18.9440
7 O6a O 24.0881 -16.8132
8 C1a C 22.8574 -18.9447
9 O2a O 31.3882 -18.1012
10 C1y C 30.1615 -18.9916
11 O2x O 28.9552 -18.2714
12 C1y C 30.1535 -20.3958
13 C1y C 27.7434 -18.9849
14 C1y C 28.9397 -21.0800
15 O7a O 31.3910 -21.0971
16 C1y C 27.7358 -20.3891
17 C1b C 26.5322 -18.2653
18 O7a O 28.9369 -22.4876
19 O7a O 26.5166 -21.0741
20 C7a C 32.6253 -21.8002
21 O6a O 32.6273 -23.2150
22 C1a C 33.8448 -21.0870
23 C7a C 28.9410 -23.8969
24 O6a O 27.7249 -24.6000
25 C1a C 30.1530 -24.6066
26 C7a C 25.2880 -21.7847
27 O6a O 24.0726 -21.0617
28 C1a C 25.2780 -23.1840
29 C1y C 31.3762 -16.5801
30 C1y C 30.1867 -15.8770
31 C1y C 30.1867 -14.4934
32 C1y C 28.8689 -16.3021
33 C2y C 31.3762 -13.8135
34 C1x C 28.8748 -14.0799
35 O2x O 32.5765 -15.8770
36 C1y C 28.0779 -15.1795
37 C2x C 32.5765 -14.4934
38 C7a C 31.3705 -12.4415
39 O7a O 32.5589 -11.7685
40 O6a O 30.1750 -11.7744
41 C1a C 33.7413 -12.4415
42 C1a C 28.1676 -17.5112
BOND 44
1 1 3 1
2 1 4 1
3 1 2 2
4 12 15 1 #Down
5 23 25 1
6 13 16 1
7 13 17 1 #Up
8 26 19 1
9 26 27 2
10 14 18 1 #Up
11 26 28 1
12 16 19 1 #Down
13 29 9 1 #Up
14 14 16 1
15 17 6 1
16 10 9 1 #Up
17 10 11 1
18 10 12 1
19 11 13 1
20 5 8 1
21 5 6 1
22 20 15 1
23 20 21 2
24 5 7 2
25 20 22 1
26 12 14 1
27 30 31 1
28 30 29 1
29 30 32 1
30 31 33 1
31 31 34 1
32 29 35 1
33 32 36 1
34 33 37 2
35 33 38 1
36 38 39 1
37 38 40 2
38 39 41 1
39 34 36 1
40 35 37 1
41 23 18 1
42 36 4 1 #Up
43 23 24 2
44 32 42 1 #Up
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