ATOM 32
1 N1y N 19.6488 -18.0985
2 C1y C 19.6488 -16.7038
3 C2y C 20.9793 -18.5244
4 C5x C 18.2426 -18.1101
5 C1y C 18.2426 -16.7038
6 C1x C 20.9734 -16.2778
7 C2y C 21.7963 -17.3982
8 C6a C 21.4169 -19.8549
9 O5x O 17.2387 -19.0964
10 C1c C 17.0230 -15.9977
11 S2a S 23.1966 -17.3982
12 O6a O 22.7824 -20.1409
13 O6a O 20.4833 -20.8936
14 C1a C 15.8150 -16.6980
15 O1a O 17.0171 -14.5972
16 C1b C 24.3988 -16.6980
17 C1b C 25.6068 -17.3865
18 N1b N 26.8146 -16.6923
19 C5a C 28.0121 -17.3870
20 C1b C 29.2354 -16.6839
21 O5a O 28.0085 -18.8145
22 C1b C 30.4724 -17.3600
23 N1b N 31.6849 -16.6600
24 C5a C 32.8973 -17.3600
25 C1c C 34.1097 -16.6600
26 C1d C 35.3222 -17.3600
27 C1b C 36.5346 -16.6600
28 O1a O 37.7470 -17.3600
29 O5a O 32.8973 -18.7600
30 O1a O 34.1097 -15.2601
31 C1a C 34.6222 -18.5724
32 C1a C 36.0222 -18.5724
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1
10 7 11 1
11 8 12 1
12 8 13 2
13 10 14 1
14 10 15 1 #Down
15 11 16 1
16 16 17 1
17 17 18 1
18 4 5 1
19 6 7 1
20 18 19 1
21 19 20 1
22 19 21 2
23 20 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 24 29 2
31 25 30 1 #Down
32 26 31 1
33 26 32 1
| 
