ATOM 19
1 C8x C 23.5202 -18.3483
2 C8x C 23.5202 -19.7504
3 C8x C 24.7383 -20.4549
4 C8x C 24.7383 -17.6508
5 C8y C 25.9494 -18.3483
6 C8y C 25.9433 -19.7504
7 N5x N 27.1555 -20.4601
8 N5x N 28.3736 -19.7607
9 N4y N 28.3796 -18.3586
10 C8y C 27.1675 -17.6561
11 C1b C 29.5864 -17.6579
12 S2a S 30.7912 -18.3483
13 P1a P 32.0030 -17.6508
14 O5x O 27.1557 -16.2487
15 O2b O 32.0030 -16.2558
16 C1a C 30.7912 -15.5583
17 O2b O 33.2149 -18.3412
18 C1a C 33.2149 -19.7362
19 S0 S 33.2149 -16.9393
BOND 20
1 8 9 1
2 9 10 1
3 10 5 1
4 9 11 1
5 1 2 2
6 11 12 1
7 2 3 1
8 12 13 1
9 3 6 2
10 10 14 2
11 5 4 2
12 13 15 1
13 4 1 1
14 15 16 1
15 5 6 1
16 13 17 1
17 6 7 1
18 17 18 1
19 7 8 2
20 13 19 2
|