ATOM 24
1 C1z C 20.2652 -17.1118
2 N1y N 19.4431 -18.2952
3 C1y C 21.6236 -17.5432
4 C1y C 19.4431 -15.9809
5 C2y C 18.1141 -17.8638
6 C1x C 20.2944 -19.3504
7 C1y C 21.6468 -18.9479
8 N1y N 22.8593 -18.2544
9 C2y C 18.1141 -16.4588
10 C5x C 16.9074 -18.5750
11 C5x C 16.9074 -15.7243
12 C2y C 15.5841 -17.8988
13 O5x O 16.9074 -19.9682
14 C2y C 15.6367 -16.4706
15 O5x O 16.9485 -14.3602
16 C1a C 14.4183 -18.6041
17 O1a O 14.4183 -15.7826
18 O1a O 21.1750 -15.6197
19 C1b C 19.4431 -14.5837
20 O7a O 20.6601 -13.8812
21 C7a C 20.6598 -12.5004
22 O6a O 19.4401 -11.7965
23 N1a N 21.8600 -11.8070
24 C1a C 24.2593 -18.2544
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 9 11 1
11 10 12 1
12 10 13 2
13 11 14 1
14 11 15 2
15 12 16 1
16 14 17 1
17 5 9 2
18 6 7 1
19 7 8 1
20 12 14 2
21 1 18 1 #Down
22 4 19 1 #Down
23 19 20 1
24 20 21 1
25 21 22 2
26 21 23 1
27 8 24 1
| 
