ATOM 47
1 C1y C 36.9140 -20.5169
2 C1y C 35.7399 -21.1945
3 C1z C 36.9140 -19.1618
4 C1x C 39.2620 -20.5169
5 C1y C 34.5717 -20.5169
6 C1x C 35.7340 -22.5496
7 C1y C 38.0997 -18.4843
8 C1x C 35.7399 -18.4843
9 C1a C 36.9080 -17.8067
10 C1x C 39.2620 -19.1618
11 C1z C 33.3860 -21.1945
12 C1x C 34.5717 -19.1618
13 C2x C 34.5717 -23.2272
14 C1c C 38.0997 -17.1292
15 C2y C 33.3860 -22.5496
16 C1x C 32.2179 -20.5169
17 C1a C 33.3743 -19.8394
18 C1b C 39.2971 -16.4399
19 C1a C 36.8963 -16.4342
20 C1x C 32.2179 -23.2272
21 C1x C 31.0438 -21.1945
22 C1b C 40.4945 -17.1349
23 C1y C 31.0438 -22.5496
24 C1b C 41.6919 -16.4399
25 O7a O 29.8581 -23.2272
26 C1c C 42.8951 -17.1349
27 C1a C 44.0925 -16.4457
28 C1a C 42.8893 -18.5193
29 C7a C 28.6783 -22.5388
30 C1b C 27.4787 -23.2243
31 C1b C 26.2996 -22.5365
32 C1b C 25.0981 -23.2233
33 C1b C 23.9198 -22.5361
34 C1b C 22.7180 -23.2231
35 C1b C 21.5398 -22.5361
36 C1b C 20.3380 -23.2232
37 C2b C 19.1597 -22.5363
38 C2b C 17.7800 -22.5400
39 C1b C 16.5900 -23.2400
40 C1b C 15.3719 -22.5499
41 C1b C 14.1905 -23.2450
42 C1b C 12.9851 -22.5620
43 C1b C 11.8139 -23.2509
44 C1b C 10.6035 -22.5649
45 C1b C 9.3834 -23.2829
46 C1a C 8.1743 -22.5984
47 O6a O 28.6846 -21.1401
BOND 50
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 23 25 1 #Up
25 24 26 1
26 26 27 1
27 26 28 1
28 7 10 1
29 8 12 1
30 13 15 2
31 21 23 1
32 25 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 2
42 38 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 42 43 1
47 43 44 1
48 44 45 1
49 45 46 1
50 29 47 2
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