ATOM 23
1 N1y N 24.2748 -17.9104
2 C8y C 22.9455 -19.7294
3 C8y C 22.9455 -18.3302
4 C5x C 25.1143 -19.0298
5 C1z C 24.2748 -20.1492
6 C8x C 21.7562 -17.6306
7 C8x C 20.4969 -18.2602
8 C8x C 20.4969 -19.6594
9 C8x C 21.7562 -20.4290
10 O5x O 26.5135 -19.0298
11 C1b C 25.6740 -20.1481
12 C1b C 26.3746 -21.3592
13 C1b C 27.7738 -21.3581
14 N1b N 28.4744 -22.5693
15 C1a C 29.8736 -22.5681
16 C1a C 24.2748 -21.5484
17 C8y C 24.2748 -16.5104
18 C8x C 25.4944 -15.8062
19 C8x C 25.4943 -14.4062
20 C8x C 24.2818 -13.7063
21 C8x C 23.0622 -14.4105
22 C8x C 23.0623 -15.8105
23 X Cl 30.0791 -18.0497
BOND 24
1 2 3 2
2 3 1 1
3 1 4 1
4 4 5 1
5 2 5 1
6 3 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 2 9 1
11 4 10 2
12 5 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 5 16 1
18 1 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
|