ATOM 29
1 C1z C 22.1045 -14.7096
2 C1z C 20.7972 -14.6967
3 C1y C 22.4739 -13.2137
4 C1y C 23.0616 -15.6498
5 O1a O 21.3574 -15.9074
6 C1y C 20.2558 -13.4341
7 O2x O 19.4311 -14.6778
8 C1a C 19.8315 -15.6701
9 C1y C 21.2750 -12.5132
10 C1z C 23.7266 -12.5936
11 C1y C 24.4553 -15.7080
12 O7x O 22.6384 -16.9775
13 O1a O 21.1470 -11.1383
14 C1x C 24.9879 -13.1794
15 C1b C 24.8780 -11.2680
16 O1a O 23.6858 -11.2042
17 C1y C 25.3111 -14.5380
18 C2y C 24.8930 -16.9567
19 C7x C 23.7785 -17.7854
20 X Cl 26.1422 -11.2700
21 O7a O 26.7611 -15.3121
22 C2a C 26.2105 -17.3743
23 O6a O 23.7908 -19.1659
24 C7a C 27.9557 -14.6207
25 C2c C 29.1480 -15.3104
26 O6a O 27.9557 -13.2417
27 C1a C 30.3551 -14.6148
28 C2b C 29.1470 -16.7036
29 C1a C 27.9399 -17.3992
BOND 32
1 3 9 1
2 3 10 1
3 4 11 1
4 4 12 1
5 9 13 1 #Up
6 10 14 1
7 10 15 1 #Up
8 10 16 1 #Down
9 11 17 1
10 11 18 1
11 12 19 1
12 15 20 1
13 17 21 1 #Up
14 18 22 2
15 19 23 2
16 6 7 1
17 6 9 1
18 14 17 1
19 18 19 1
20 21 24 1
21 1 2 1
22 24 25 1
23 1 3 1
24 1 4 1
25 1 5 1 #Down
26 2 6 1
27 24 26 2
28 25 27 1
29 2 7 1
30 25 28 2
31 2 8 1 #Up
32 28 29 1
|