ATOM 17
1 C1y C 23.8391 -19.9916
2 N4y N 25.1729 -19.5586
3 O2x O 22.7043 -19.1667
4 C1x C 23.4063 -21.3195
5 C8y C 25.4596 -18.1897
6 C8x C 26.2085 -20.4946
7 C1y C 21.5693 -19.9916
8 C1y C 22.0080 -21.3195
9 N5x N 26.7935 -17.7567
10 O5x O 24.4183 -17.2537
11 C8y C 27.5364 -20.0618
12 C1b C 20.2412 -19.5586
13 O1a O 21.1831 -22.4545
14 C8y C 27.8290 -18.6929
15 C1a C 28.5777 -21.0036
16 O1a O 19.1999 -20.5006
17 N1a N 29.1629 -18.2657
BOND 18
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 2
14 11 15 1
15 12 16 1
16 14 17 1
17 7 8 1
18 11 14 1
|