ATOM 18
1 C8y C 24.2978 -17.0337
2 C8y C 24.2920 -18.4382
3 C5x C 25.5157 -16.3461
4 C8x C 23.0858 -16.3404
5 C5x C 25.5040 -19.1490
6 C8x C 23.0858 -19.1432
7 C2y C 26.7277 -17.0454
8 O5x O 25.5214 -14.9418
9 C8x C 21.8679 -17.0337
10 C2y C 26.7219 -18.4497
11 O5x O 25.4983 -20.5475
12 C8x C 21.8679 -18.4382
13 C1b C 27.9339 -16.3461
14 O1a O 27.9339 -19.1549
15 C2b C 29.1344 -17.0337
16 C2c C 30.3464 -16.3404
17 C1a C 31.5586 -17.0280
18 C1a C 30.3464 -14.9359
BOND 19
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1
13 10 14 1
14 13 15 1
15 15 16 2
16 16 17 1
17 16 18 1
18 7 10 2
19 9 12 1
|