ATOM 23
1 C1y C 28.0955 -18.7435
2 C1z C 26.8863 -18.0382
3 O7a O 28.0897 -20.1528
4 C1z C 26.8920 -16.6409
5 C1y C 25.6946 -18.7376
6 C1a C 26.8746 -19.4300
7 C7a C 28.7891 -21.3443
8 C1x C 28.1072 -15.9486
9 C1x C 25.6946 -15.9427
10 O1a O 26.8803 -15.2433
11 C1x C 24.4725 -18.0382
12 C1a C 25.6946 -20.1470
13 C1c C 28.0897 -22.5537
14 O6a O 30.1864 -21.3443
15 C1x C 24.4725 -16.6409
16 C1a C 28.7948 -23.7698
17 C1a C 26.6920 -22.5595
18 C8y C 29.3235 -16.6526
19 C8y C 29.3291 -18.0505
20 C8y C 30.6549 -18.4802
21 C8x C 31.4723 -17.3463
22 O2x O 30.6457 -16.2190
23 C1a C 31.1069 -19.8441
BOND 25
1 2 6 1 #Up
2 3 7 1
3 4 8 1
4 4 9 1
5 4 10 1 #Up
6 5 11 1
7 5 12 1 #Up
8 7 13 1
9 7 14 2
10 9 15 1
11 13 16 1
12 13 17 1
13 18 8 1
14 11 15 1
15 1 2 1
16 1 19 1
17 1 3 1 #Up
18 2 4 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 18 1
24 2 5 1
25 20 23 1
|