ATOM 20
1 N4y N 28.6459 -19.3216
2 C8y C 29.7076 -20.0567
3 C1y C 27.3564 -19.7359
4 C8y C 29.1184 -17.9272
5 C8y C 30.9387 -19.1524
6 N5x N 29.8418 -21.4744
7 O2x O 26.2187 -18.8900
8 C1y C 26.9306 -20.9845
9 N5x N 30.5652 -17.9330
10 C8y C 32.1873 -19.7009
11 C8x C 31.1605 -22.0638
12 C1y C 25.1218 -19.6776
13 C1y C 25.5477 -20.9845
14 O1a O 27.3388 -22.3147
15 N5x N 32.3506 -21.1827
16 N1a N 33.2900 -18.8840
17 C1b C 23.8207 -19.2691
18 O1a O 25.1042 -22.3089
19 O1a O 22.7123 -20.1034
20 X Br 28.2630 -16.7290
BOND 22
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 5 9 1
20 11 15 1
21 12 13 1
22 4 20 1
|