ATOM 30
1 C1y C 20.7345 -15.5244
2 C1z C 20.7274 -16.9251
3 O2x O 21.9448 -16.2231
4 C1x C 17.0844 -17.6143
5 C5x C 17.0844 -19.0150
6 C2x C 18.3003 -19.7153
7 C1x C 18.3003 -16.9140
8 C1z C 19.5091 -17.6143
9 C2y C 19.5030 -19.0150
10 C1x C 20.7130 -19.7204
11 C1y C 21.9291 -19.0253
12 C1y C 21.9291 -17.6276
13 C1x C 21.9520 -14.8336
14 C1z C 23.1560 -15.5421
15 C1y C 23.1468 -16.9442
16 C1x C 24.4777 -17.3862
17 C1x C 25.3090 -16.2572
18 C1z C 24.4919 -15.1156
19 O7x O 25.8914 -15.1172
20 C7x C 26.3253 -13.7867
21 C1x C 25.1939 -12.9631
22 C1x C 24.0609 -13.7843
23 O6a O 27.6578 -13.3553
24 C7a C 23.1404 -19.7282
25 O6a O 23.1375 -21.1288
26 O7a O 24.3549 -19.0306
27 C1a C 25.5664 -19.7334
28 O5x O 15.8718 -19.7158
29 C1a C 19.4966 -16.2137
30 C1a C 23.1467 -14.1410
BOND 35
1 8 7 1
2 7 4 1
3 14 15 1
4 15 16 1
5 16 17 1
6 17 18 1
7 18 14 1
8 1 2 1
9 1 3 1 #Down
10 2 3 1 #Down
11 8 9 1
12 9 10 1
13 18 19 1
14 19 20 1
15 20 21 1
16 21 22 1
17 18 22 1 #Down
18 10 11 1
19 20 23 2
20 11 12 1
21 11 24 1 #Down
22 2 8 1
23 24 25 2
24 4 5 1
25 24 26 1
26 5 6 1
27 26 27 1
28 2 12 1
29 5 28 2
30 12 15 1
31 8 29 1 #Up
32 14 13 1
33 13 1 1
34 14 30 1 #Up
35 6 9 2
| 
