ATOM 38
1 C1x C 16.3037 -10.7021
2 C1y C 16.3037 -12.0914
3 C1z C 17.5068 -12.7861
4 C1y C 18.7100 -12.0914
5 C1z C 18.7100 -10.7021
6 C1x C 17.5068 -10.0075
7 C1x C 19.9131 -12.7861
8 C1x C 21.1161 -12.0914
9 C2y C 21.1161 -10.7021
10 C2y C 19.9131 -10.0075
11 C1z C 22.3192 -10.0075
12 C1z C 22.3193 -8.6183
13 C1x C 21.1162 -7.9237
14 C1x C 19.9131 -8.6183
15 C1x C 24.7255 -10.0075
16 C1y C 24.7255 -8.6183
17 C1y C 23.5224 -7.9237
18 C1c C 23.5224 -6.5345
19 C6a C 22.3232 -5.8422
20 C1b C 24.7308 -5.8399
21 C1b C 25.9339 -6.5345
22 C2c C 27.1369 -5.8399
23 C1c C 28.3400 -6.5345
24 C1a C 29.5432 -5.8399
25 C1a C 28.3400 -7.9236
26 C2a C 27.1369 -4.4506
27 C1a C 22.3193 -7.3691
28 O1a O 25.9158 -7.9309
29 C1a C 22.3978 -11.2149
30 C1a C 18.7100 -9.3130
31 C1a C 16.8122 -13.9890
32 C1a C 18.2015 -13.9890
33 O6a O 21.1389 -6.5261
34 O6a O 22.3231 -4.4508
35 O7a O 15.1007 -12.7861
36 C7a C 13.9199 -12.0914
37 C1a C 12.7167 -12.7861
38 O6a O 13.9255 -10.7022
BOND 41
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1
22 18 19 1 #Down
23 18 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 23 25 1
29 22 26 2
30 12 27 1 #Up
31 16 28 1 #Down
32 11 29 1 #Down
33 5 30 1 #Up
34 3 31 1
35 3 32 1
36 19 33 1
37 19 34 2
38 2 35 1 #Up
39 35 36 1
40 36 37 1
41 36 38 2
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