ATOM 22
1 C1x C 24.3815 -21.9539
2 C1x C 24.3815 -23.3536
3 C2x C 25.5938 -24.0535
4 C2y C 26.8060 -23.3536
5 C1y C 26.8060 -21.9539
6 C1y C 25.5938 -21.2540
7 C2x C 28.0182 -24.0535
8 C2x C 29.2305 -23.3536
9 C1y C 29.2305 -21.9539
10 C1y C 28.0182 -21.2540
11 C1b C 28.0182 -19.8542
12 C1b C 29.2325 -19.1531
13 C1y C 29.2341 -17.7546
14 O7x O 30.4471 -17.0560
15 C7x C 30.4487 -15.6562
16 C1x C 29.2372 -14.9550
17 C1y C 28.0242 -15.6535
18 C1x C 28.0226 -17.0533
19 C1a C 30.4454 -21.2524
20 O1a O 25.5938 -19.8542
21 O6a O 31.6612 -14.9580
22 O1a O 26.8109 -14.9512
BOND 24
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Up
13 11 12 1
14 13 12 1 #Down
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 9 19 1 #Up
22 6 20 1 #Down
23 15 21 2
24 17 22 1 #Up
|