ATOM 18
1 C1y C 31.0447 -19.0594
2 C8y C 32.1591 -18.2234
3 O2x O 29.9165 -18.2356
4 C1x C 30.6112 -20.3913
5 C8x C 33.5565 -18.2033
6 C8x C 31.7776 -16.8770
7 C1z C 28.7852 -19.0508
8 C1x C 29.2119 -20.3825
9 C8x C 34.0321 -16.9638
10 O2x O 32.9350 -16.0949
11 C1b C 27.5748 -19.7525
12 C1a C 28.4400 -17.6889
13 C5a C 26.3647 -19.0569
14 C2b C 25.1486 -19.7642
15 O5a O 26.3647 -17.6479
16 C2c C 23.9385 -19.0626
17 C1a C 22.7226 -19.7701
18 C1a C 23.9327 -17.6538
BOND 19
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 7 12 1 #Up
12 11 13 1
13 13 14 1
14 13 15 2
15 14 16 2
16 16 17 1
17 16 18 1
18 7 8 1
19 9 10 1
|