ATOM 27
1 C1z C 26.7059 -16.0186
2 C1y C 25.4798 -15.2889
3 C1y C 26.7699 -17.4430
4 C1y C 27.9551 -15.3123
5 C1x C 27.1203 -14.9793
6 C1z C 24.2365 -16.0012
7 C1z C 25.4915 -13.8645
8 C1x C 25.4681 -18.1552
9 O7x O 27.9376 -18.1669
10 C1y C 27.8968 -13.8819
11 C1x C 29.1926 -16.0360
12 O2x O 26.6765 -14.0453
13 C1y C 24.2306 -17.4371
14 C1y C 22.9988 -15.2889
15 C1a C 24.2248 -14.5650
16 C1y C 26.7350 -13.1580
17 O1a O 24.5399 -12.5747
18 C7x C 29.1752 -17.4664
19 C1a C 29.2102 -13.1756
20 C2y C 22.9988 -18.1493
21 C5x C 21.7554 -16.0012
22 O1a O 22.9988 -13.8528
23 O1a O 26.7467 -11.7221
24 O6a O 30.4127 -18.1903
25 C2x C 21.7554 -17.4371
26 C1a C 22.9988 -19.5795
27 O5x O 20.5121 -15.2830
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 6 15 1 #Up
15 7 16 1
16 7 17 1
17 9 18 1
18 10 19 1 #Down
19 13 20 1
20 14 21 1
21 14 22 1 #Up
22 16 23 1 #Down
23 18 24 2
24 20 25 2
25 20 26 1
26 21 27 2
27 7 12 1 #Up
28 8 13 1
29 10 16 1
30 11 18 1
31 21 25 1
|