ATOM 36
1 C1y C 8.9756 -17.7386
2 C1y C 10.1677 -17.0374
3 C1b C 11.4298 -17.7386
4 C1z C 12.6219 -17.0374
5 C1x C 13.8139 -17.7386
6 C1y C 12.6219 -15.6350
7 O2x O 15.0060 -17.0374
8 C1y C 13.8139 -14.9338
9 C1y C 15.0060 -15.6350
10 O1a O 11.4298 -14.9338
11 O1a O 13.8139 -13.3210
12 C1b C 16.1980 -14.9338
13 C2c C 17.3901 -15.6350
14 C2b C 18.5821 -14.9338
15 C7a C 19.7742 -15.6350
16 O7a O 21.0363 -14.9338
17 C1b C 22.2284 -15.6350
18 C1b C 23.4204 -14.9338
19 C1b C 24.6826 -15.6350
20 C1b C 25.8746 -14.9338
21 C1b C 27.0667 -15.6350
22 C1b C 28.3288 -14.9338
23 C1a C 17.3901 -17.0374
24 O6a O 19.7742 -17.0374
25 C1b C 29.5209 -15.6350
26 C1b C 30.7129 -14.9338
27 C6a C 31.9050 -15.6350
28 C1c C 7.7554 -17.0473
29 C1c C 6.5720 -17.7436
30 C1a C 5.3645 -17.0595
31 O1a O 6.5834 -19.1410
32 C1a C 7.7438 -15.3556
33 O6a O 33.1452 -14.9326
34 O2x O 8.9756 -16.3386
35 O6a O 31.8939 -17.0098
36 R R 12.6219 -18.4374
BOND 37
1 1 2 1
2 2 3 1
3 4 3 1 #Down
4 4 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 8 9 1
9 9 7 1
10 6 10 1 #Up
11 8 11 1 #Up
12 9 12 1 #Down
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 13 23 1
24 15 24 2
25 22 25 1
26 25 26 1
27 26 27 1
28 1 28 1
29 28 29 1
30 29 30 1
31 29 31 1 #Up
32 28 32 1 #Down
33 27 33 1
34 1 34 1 #Up
35 2 34 1 #Up
36 27 35 2
37 4 36 1
| 
