ATOM 22
1 C1z C 27.9985 -19.7889
2 C8y C 27.5618 -18.4551
3 C1x C 29.3964 -19.7889
4 C2x C 26.5949 -19.7773
5 C2x C 28.6858 -21.0062
6 C8y C 28.6916 -17.6338
7 C8y C 26.2046 -17.7561
8 C1y C 29.8332 -18.4551
9 C2x C 25.8901 -20.9886
10 C2x C 27.9869 -22.2176
11 C8y C 28.6918 -16.3584
12 C8y C 26.2046 -16.3584
13 O1a O 24.9873 -18.4493
14 N1y N 31.0446 -17.7678
15 C5x C 26.5833 -22.2059
16 C8x C 27.4162 -15.6536
17 C1x C 29.8389 -15.6595
18 O2a O 24.9932 -15.6536
19 C1x C 30.9805 -16.3699
20 C1a C 32.2502 -18.4610
21 O5x O 25.8727 -23.4116
22 C1a C 23.7817 -16.3525
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 2
7 3 8 1
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 11 16 1
16 11 17 1
17 12 18 1
18 14 19 1
19 14 20 1
20 15 21 2
21 18 22 1
22 6 8 1
23 10 15 1
24 12 16 2
25 17 19 1
|