ATOM 43
1 C1z C 30.6092 -21.2356
2 C1y C 29.4201 -20.5270
3 C1z C 31.8157 -20.5738
4 C1y C 30.5974 -22.6178
5 O2x O 31.7981 -21.9267
6 C1z C 28.2197 -21.2004
7 C1y C 29.3791 -19.1448
8 C1z C 31.8388 -19.1916
9 C1x C 34.1410 -20.5503
10 C1x C 29.3850 -23.2915
11 C1y C 28.1960 -22.5828
12 C1x C 27.0247 -20.4976
13 C1a C 28.2019 -19.8064
14 C5x C 30.6617 -18.4772
15 O1a O 28.2603 -18.4302
16 C1y C 33.0514 -18.5238
17 C1a C 31.7571 -17.7977
18 C1x C 34.1703 -19.2267
19 C1x C 27.0012 -23.2622
20 C1y C 25.8242 -21.1770
21 C2y C 33.0748 -17.1357
22 C1y C 25.8123 -22.5593
23 O2x O 24.6234 -20.4802
24 C2x C 34.4569 -17.1298
25 C1x C 32.6532 -15.8239
26 O2x O 24.6116 -23.2504
27 C1z C 23.3468 -21.1653
28 C7x C 34.8845 -15.8179
29 O7x O 33.7659 -15.0154
30 C1y C 23.4110 -22.5536
31 C1z C 22.2220 -20.4815
32 O1a O 22.4031 -21.9265
33 O6a O 36.2024 -15.3963
34 O2x O 22.2220 -23.2504
35 C1x C 21.0154 -21.1653
36 N2x N 21.1018 -19.6654
37 S2x S 23.3387 -19.6736
38 C1y C 21.0154 -22.5536
39 C2x C 21.5344 -18.3529
40 C1x C 22.9115 -18.3556
41 C1a C 19.8146 -23.2504
42 O1a O 33.0248 -21.4816
43 O5x O 30.6917 -17.0689
BOND 51
1 1 3 1
2 1 4 1
3 1 5 1 #Up
4 2 6 1
5 2 7 1
6 3 8 1
7 3 9 1
8 4 10 1
9 6 11 1
10 6 12 1
11 6 13 1 #Up
12 7 14 1
13 7 15 1 #Down
14 8 16 1
15 8 17 1 #Up
16 9 18 1
17 11 19 1
18 12 20 1
19 16 21 1
20 19 22 1
21 20 23 1
22 21 24 2
23 21 25 1
24 22 26 1
25 23 27 1
26 24 28 1
27 25 29 1
28 26 30 1
29 27 31 1
30 27 32 1 #Up
31 28 33 2
32 30 34 1
33 31 35 1
34 31 36 1
35 31 37 1
36 34 38 1
37 36 39 2
38 37 40 1
39 38 41 1 #Down
40 4 5 1 #Up
41 8 14 1
42 10 11 1
43 16 18 1
44 20 22 1
45 27 30 1
46 28 29 1
47 35 38 1
48 39 40 1
49 3 42 1 #Up
50 1 2 1
51 14 43 2
| 
