ATOM 33
1 C1x C 12.7717 -17.0524
2 C1y C 12.7717 -18.4560
3 C1z C 13.9646 -19.1577
4 C2y C 15.1575 -18.4560
5 C1y C 15.1575 -17.0524
6 C1x C 13.9646 -16.3507
7 C2x C 16.3505 -19.1577
8 C1x C 17.5435 -18.4560
9 C1y C 17.5435 -17.0524
10 C1z C 16.3505 -16.3507
11 C1z C 18.7364 -16.3507
12 C1z C 18.7364 -15.0174
13 C1x C 17.5435 -14.3157
14 C5x C 16.3505 -15.0174
15 C1y C 19.9294 -14.3157
16 C1x C 21.1223 -15.0174
17 C1d C 19.9294 -12.9823
18 C1b C 21.1223 -12.2806
19 C1b C 22.2451 -12.9122
20 C2b C 23.4381 -12.2806
21 C2c C 24.5609 -12.9122
22 C1a C 25.7538 -12.2806
23 C1a C 24.5609 -14.3157
24 C1x C 21.1223 -16.3507
25 C1a C 12.9822 -20.0700
26 C1a C 14.9470 -20.0700
27 C1a C 18.7364 -12.2806
28 C1a C 18.7364 -17.7542
29 O1a O 11.5786 -19.1577
30 C1a C 15.8595 -17.6137
31 C1a C 18.7364 -13.6139
32 O5x O 15.1341 -14.3151
33 O1a O 19.9294 -11.5823
BOND 36
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 2
8 7 8 1
9 8 9 1
10 9 10 1
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 12 15 1
18 15 16 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 2
24 21 22 1
25 21 23 1
26 16 24 1
27 24 11 1
28 3 25 1
29 3 26 1
30 17 27 1 #Down
31 11 28 1 #Down
32 2 29 1 #Up
33 10 30 1 #Up
34 12 31 1 #Up
35 14 32 2
36 17 33 1 #Up
| 
