ATOM 29
1 C8x C 23.1973 -22.4480
2 C8y C 23.1973 -19.6402
3 C8y C 24.4097 -20.3457
4 C8y C 24.4038 -21.7496
5 C1y C 25.6176 -22.4531
6 C1x C 25.6294 -19.6455
7 C1y C 26.8432 -20.3560
8 C1y C 26.8405 -21.7640
9 C7x C 28.1792 -22.1995
10 O7x O 29.0046 -21.0605
11 C1x C 28.1835 -19.9257
12 C8y C 21.9776 -21.7496
13 C8y C 21.9842 -20.3503
14 O2x O 20.6549 -19.9138
15 C1x C 19.8314 -21.0365
16 O2x O 20.6445 -22.1736
17 C8y C 25.6089 -23.8569
18 C8x C 24.3899 -24.5471
19 C8y C 24.3813 -25.9509
20 C8y C 25.5937 -26.6567
21 C8y C 26.8148 -25.9658
22 C8x C 26.8234 -24.5620
23 O2a O 28.0201 -26.6716
24 O1a O 25.5851 -28.0606
25 O2a O 23.1602 -26.6418
26 C1a C 29.2410 -25.9808
27 C1a C 21.9480 -25.9360
28 O1a O 23.1954 -18.2365
29 O6a O 28.6084 -23.5358
BOND 33
1 13 14 1
2 14 15 1
3 15 16 1
4 16 12 1
5 2 13 2
6 5 17 1 #Down
7 12 1 2
8 1 4 1
9 3 2 1
10 7 8 1
11 17 18 2
12 18 19 1
13 19 20 2
14 20 21 1
15 21 22 2
16 22 17 1
17 8 9 1
18 21 23 1
19 9 10 1
20 20 24 1
21 10 11 1
22 19 25 1
23 11 7 1
24 23 26 1
25 3 4 2
26 25 27 1
27 4 5 1
28 2 28 1
29 5 8 1
30 9 29 2
31 7 6 1
32 6 3 1
33 12 13 1
|