ATOM 38
1 C1y C 20.2098 -14.1258
2 C1z C 21.3286 -14.7552
3 C1y C 19.4405 -14.9650
4 C1z C 20.2098 -12.7972
5 C1y C 22.4475 -14.1258
6 C1x C 22.4475 -15.4545
7 O7a O 21.3286 -16.0839
8 C1y C 16.9230 -14.9650
9 O7a O 19.4405 -17.0629
10 C5x C 18.5314 -11.7482
11 C1y C 21.3286 -12.1678
12 C1a C 20.1398 -11.4685
13 O2x O 23.6364 -14.8251
14 C1x C 22.4475 -12.7972
15 C7a C 22.5175 -16.7831
16 C1z C 16.9230 -13.6363
17 C1x C 15.8041 -15.5944
18 C7a C 18.3217 -17.6923
19 C1y C 15.8741 -11.7482
20 O1a O 21.6083 -10.7692
21 C1a C 23.7062 -16.1539
22 O6a O 22.5175 -18.1818
23 C2y C 15.8041 -13.0070
24 C1a C 18.0419 -12.7272
25 C1a C 17.9720 -14.1957
26 C1y C 14.7552 -14.9650
27 C8y C 18.3217 -18.9510
28 O6a O 17.2028 -17.0629
29 O1a O 14.7552 -11.1189
30 C2y C 14.7552 -13.6363
31 O1a O 13.5664 -15.5245
32 C8x C 17.2028 -19.5804
33 C8x C 19.4405 -19.6503
34 C1a C 13.6363 -13.0070
35 C8x C 17.2028 -20.9091
36 C8x C 19.3706 -20.9091
37 C8x C 18.2517 -21.5384
38 O5x O 18.5314 -10.3514
BOND 42
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 4 11 1
11 4 12 1 #Up
12 5 13 1 #Up
13 5 14 1
14 7 15 1
15 8 16 1
16 8 17 1
17 9 18 1
18 10 19 1
19 11 20 1 #Up
20 15 21 1
21 15 22 2
22 16 23 1
23 16 24 1
24 16 25 1
25 17 26 1
26 18 27 1
27 18 28 2
28 19 29 1 #Up
29 23 30 2
30 26 31 1 #Down
31 27 32 2
32 27 33 1
33 30 34 1
34 32 35 1
35 33 36 2
36 35 37 2
37 6 13 1
38 11 14 1
39 19 23 1
40 26 30 1
41 36 37 1
42 10 38 2
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