ATOM 20
1 C8y C 35.5611 -19.8919
2 C5a C 36.8495 -19.3090
3 N4y N 34.4770 -19.0409
4 C8x C 35.0890 -21.2035
5 C8y C 38.0736 -19.9442
6 O5a O 36.8028 -17.9098
7 C8y C 33.3227 -19.8335
8 C1a C 34.5353 -17.5721
9 C8x C 33.7133 -21.1917
10 C8x C 39.2630 -19.2680
11 C8x C 38.0561 -21.3376
12 C1b C 31.9937 -19.2622
13 C8x C 40.4462 -19.9676
14 C8x C 39.2453 -22.0313
15 C6a C 30.9094 -19.9386
16 C8y C 40.4462 -21.3550
17 O6a O 29.4928 -19.3090 #-
18 O6a O 30.9094 -21.3609
19 C1a C 41.6412 -22.0839
20 Z Na 27.0899 -19.3899 #+
BOND 20
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 7 12 1
12 10 13 2
13 11 14 1
14 12 15 1
15 13 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 7 9 2
20 14 16 2
|