ATOM 38
1 C1y C 21.6516 -14.2310
2 C1y C 20.5276 -13.5186
3 C1y C 20.4846 -12.1247
4 C1y C 21.7052 -11.4444
5 C1y C 22.9057 -12.1717
6 O2x O 22.8785 -13.5655
7 O1a O 19.2445 -14.1855
8 O1a O 19.2983 -11.3976
9 O1a O 21.7324 -10.0505
10 C1b C 24.1266 -11.4914
11 O1a O 24.1511 -10.1044
12 C8y C 21.6246 -15.6206
13 C8y C 22.8131 -16.3082
14 C8y C 22.8074 -17.6820
15 O2x O 24.0066 -15.6265
16 C8y C 20.4255 -16.3082
17 C5x C 23.9949 -18.3741
18 C8y C 21.6246 -18.3683
19 C1x C 25.1823 -16.3198
20 C8x C 20.4255 -17.6820
21 O1a O 19.2381 -15.6206
22 C1y C 25.1764 -17.6936
23 O5x O 23.9890 -19.7423
24 O1a O 21.6246 -19.7423
25 C8y C 26.3697 -18.3800
26 C8x C 26.4221 -19.7539
27 C8y C 27.5514 -17.7053
28 C8y C 27.5280 -20.4532
29 C8x C 28.7330 -18.3917
30 O1a O 27.5514 -16.3372
31 C8y C 28.7271 -19.7656
32 C1x C 27.8136 -21.8095
33 O2x O 29.7585 -20.6980
34 C1y C 29.1874 -21.9552
35 C1d C 29.8749 -23.1485
36 C1a C 31.4925 -23.1252
37 C1a C 28.9310 -24.3594
38 O1a O 30.5846 -24.5050
BOND 42
1 6 1 1
2 2 7 1 #Down
3 3 8 1 #Up
4 4 9 1 #Down
5 5 10 1 #Up
6 10 11 1
7 1 12 1 #Up
8 1 2 1
9 2 3 1
10 3 4 1
11 4 5 1
12 5 6 1
13 13 12 1
14 13 14 2
15 13 15 1
16 12 16 2
17 14 17 1
18 14 18 1
19 15 19 1
20 16 20 1
21 16 21 1
22 17 22 1
23 17 23 2
24 18 24 1
25 22 25 1
26 25 26 2
27 25 27 1
28 26 28 1
29 27 29 2
30 27 30 1
31 28 31 2
32 28 32 1
33 31 33 1
34 32 34 1
35 34 35 1
36 35 36 1
37 35 37 1
38 35 38 1
39 18 20 2
40 19 22 1
41 29 31 1
42 33 34 1
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