ATOM 21
1 C1z C 26.6968 -19.3765
2 C1y C 26.6968 -20.7817
3 C8y C 26.6792 -17.9773
4 C1x C 28.0261 -18.9452
5 C1x C 25.4840 -18.6827
6 N1y N 28.0319 -21.2132
7 C1x C 25.4840 -21.4871
8 C8x C 27.8921 -17.2601
9 C8x C 25.4608 -17.2893
10 C1x C 28.8482 -20.0821
11 C1x C 24.2656 -19.3765
12 C1a C 28.7199 -22.4201
13 C5x C 24.2656 -20.7817
14 C8y C 27.8804 -15.8608
15 C8x C 25.4492 -15.8900
16 O5x O 23.0470 -21.4754
17 C8y C 26.6561 -15.1728
18 O2a O 29.0756 -15.1611
19 O2a O 26.6444 -13.7794
20 C1a C 30.2883 -15.8550
21 C1a C 27.8571 -13.0681
BOND 23
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 2
15 13 16 2
16 14 17 2
17 14 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 6 10 1
22 11 13 1
23 15 17 1
|