ATOM 28
1 C8y C 27.1288 -20.3048
2 N4y N 27.1462 -21.3721
3 C1y C 25.9450 -19.6109
4 C8y C 28.3243 -19.6283
5 C5x C 25.8634 -22.0135
6 C8x C 28.4000 -22.0135
7 C1x C 24.8313 -20.8181
8 O7x O 25.9450 -18.2464
9 C8x C 29.3623 -20.8181
10 C1x C 28.3243 -18.2523
11 O5x O 25.8574 -23.4014
12 C7x C 24.7553 -17.5582
13 O7x O 29.5255 -17.5699
14 C2y C 24.7553 -16.1820
15 O6a O 23.5658 -18.2523
16 C7x C 29.5314 -16.1879
17 C1x C 25.9450 -15.4881
18 C2b C 23.5658 -15.4881
19 C1z C 28.3359 -15.4939
20 O6a O 30.7209 -15.4881
21 C1y C 27.1462 -16.1820
22 C1a C 22.3644 -16.1820
23 O7a O 28.6975 -14.1586
24 C1a C 27.6362 -14.2927
25 C1a C 27.1405 -17.2082
26 C7a C 29.8987 -13.4588
27 C1a C 29.8987 -12.0709
28 O6a O 31.1058 -14.1586
BOND 30
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 4 10 1
10 5 11 2
11 8 12 1
12 10 13 1
13 12 14 1
14 12 15 2
15 13 16 1
16 14 17 1
17 14 18 2
18 16 19 1
19 16 20 2
20 17 21 1
21 18 22 1
22 19 23 1 #Up
23 19 24 1 #Down
24 21 25 1 #Down
25 23 26 1
26 26 27 1
27 26 28 2
28 5 7 1
29 6 9 2
30 19 21 1
|