ATOM 17
1 C8y C 25.2044 -20.5409
2 C8y C 25.1986 -21.9392
3 O2x O 26.4220 -19.8418
4 C8x C 23.9926 -19.8358
5 C1x C 26.4104 -22.6440
6 C8x C 23.9926 -22.6381
7 C1y C 27.6339 -20.5525
8 C8y C 22.7866 -20.5409
9 C1x C 27.6280 -21.9506
10 C8x C 22.7866 -21.9392
11 O1a O 21.5749 -19.8475
12 C8y C 28.8516 -19.8534
13 C8x C 30.0633 -20.5583
14 C8x C 28.8516 -18.4492
15 C8x C 31.2751 -19.8592
16 C8x C 30.0693 -17.7560
17 C8x C 31.2810 -18.4609
BOND 19
1 3 7 1
2 4 8 2
3 5 9 1
4 6 10 2
5 8 11 1
6 7 9 1
7 8 10 1
8 7 12 1 #Down
9 1 2 2
10 1 3 1
11 1 4 1
12 2 5 1
13 2 6 1
14 12 13 2
15 12 14 1
16 13 15 1
17 14 16 2
18 15 17 2
19 16 17 1
|