ATOM 29
1 C1y C 22.7966 -15.9234
2 C2x C 21.4370 -15.5779
3 C1y C 24.1619 -15.5547
4 O7x O 22.7263 -17.3485
5 C2y C 20.4408 -14.5769
6 C1y C 25.1817 -14.5652
7 C2y C 24.9405 -16.7385
8 C7x C 24.0507 -17.8461
9 C1y C 20.4466 -13.1649
10 C1x C 25.1875 -13.1532
11 O7a O 26.3934 -15.2678
12 C2a C 26.3525 -16.7446
13 O6a O 24.4195 -19.2113
14 C1x C 21.6771 -12.4612
15 C2y C 24.0393 -12.4436
16 C7a C 27.6183 -14.5652
17 C2x C 22.8258 -13.1463
18 C2c C 28.8431 -15.2678
19 O6a O 27.6183 -13.1532
20 C2b C 30.0619 -14.5652
21 C1b C 31.2868 -15.2678
22 C1a C 19.1369 -15.1065
23 O7a O 19.2300 -12.4514
24 C7a C 18.0064 -13.1525
25 C1a C 16.7969 -12.4390
26 O6a O 17.9993 -14.5603
27 C1a C 28.8444 -16.6755
28 O1a O 32.5066 -14.5671
29 C1a C 24.0332 -11.0380
BOND 30
1 5 9 1
2 6 10 1
3 6 11 1 #Up
4 7 12 2
5 8 13 2
6 14 9 1
7 10 15 1
8 11 16 1
9 14 17 1
10 16 18 1
11 16 19 2
12 18 20 2
13 20 21 1
14 7 8 1
15 15 17 2
16 5 22 1
17 1 2 1
18 9 23 1 #Up
19 1 3 1
20 23 24 1
21 1 4 1
22 24 25 1
23 2 5 2
24 24 26 2
25 3 6 1
26 18 27 1
27 3 7 1
28 21 28 1
29 4 8 1
30 15 29 1
| 
