ATOM 21
1 C8y C 30.0117 -23.6700
2 N4y N 31.2943 -24.0829
3 C8y C 30.0117 -22.3131
4 N4x N 28.8339 -24.3543
5 C1y C 30.9553 -26.7533
6 C8x C 32.0901 -22.9977
7 N5y N 31.3006 -21.8999 #+
8 C8y C 28.8339 -21.6410
9 C8y C 27.6745 -23.6700
10 O2x O 29.8513 -25.9515
11 C1y C 30.5481 -28.0112
12 N4x N 27.6745 -22.3131
13 O5x O 28.8276 -20.4435
14 O5x O 26.5090 -24.3359
15 C1y C 28.7783 -26.7348
16 C1y C 29.2100 -28.0112
17 O1a O 31.3499 -29.0905
18 C1b C 27.4957 -26.3278
19 O1a O 28.4269 -29.1028
20 O1a O 26.5090 -27.2280
21 C1a C 31.7334 -20.5882
BOND 23
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 8 12 1
12 8 13 2
13 9 14 2
14 10 15 1
15 11 16 1
16 11 17 1 #Down
17 15 18 1 #Up
18 16 19 1 #Down
19 18 20 1
20 6 7 2
21 9 12 1
22 15 16 1
23 7 21 1
|