ATOM 21
1 C1y C 26.4971 -15.9105
2 C1y C 25.2896 -16.5723
3 C1y C 27.4995 -16.8504
4 C1y C 26.2414 -14.5602
5 O7x O 25.5524 -17.9225
6 C1x C 24.2914 -15.6364
7 C7x C 26.9162 -18.0980
8 C2x C 24.8858 -14.3845
9 C1z C 22.9436 -15.9583
10 O6a O 27.5738 -19.2943
11 C2y C 24.2611 -13.1456
12 C1y C 21.8491 -15.1095
13 C1y C 22.9059 -12.8568
14 C1y C 21.8379 -13.7307
15 O2x O 21.8313 -16.7210
16 O2x O 21.4819 -12.2115
17 C7x C 25.5782 -12.3574
18 O7x O 26.6216 -13.3252
19 O6a O 25.7831 -10.9599
20 C1a C 22.9397 -17.3457
21 C1a C 28.8462 -16.5952
BOND 25
1 11 13 1
2 12 14 1
3 5 7 1
4 13 14 1
5 12 15 1
6 13 16 1
7 1 2 1
8 14 16 1
9 4 18 1
10 1 3 1
11 11 17 1
12 1 4 1
13 17 18 1
14 2 5 1
15 17 19 2
16 2 6 1
17 3 7 1
18 4 8 1
19 6 9 1
20 7 10 2
21 8 11 2
22 9 12 1
23 9 20 1 #Up
24 9 15 1
25 3 21 1 #Up
|