ATOM 45
1 C8y C 26.4349 -19.1436
2 C8y C 25.2213 -18.4379
3 C8x C 25.2179 -21.2404
4 C8x C 26.4332 -20.5447
5 C8y C 27.6479 -17.0459
6 O2a O 27.6484 -18.4450
7 C8y C 24.0044 -20.5418
8 C8y C 24.0077 -19.1437
9 N4y N 22.7978 -18.4383
10 C8y C 22.7908 -21.2343
11 C8y C 21.5809 -20.5359
12 C8y C 21.5877 -19.1441
13 C8x C 20.3848 -18.4388
14 C8y C 19.1821 -19.1322
15 C8x C 19.1754 -20.5241
16 C8y C 20.3713 -21.2223
17 C8y C 32.4967 -14.2749
18 C8y C 31.2839 -16.3846
19 C8y C 31.2900 -14.9804
20 C8y C 30.0760 -14.2697
21 N4y N 30.0640 -17.0779
22 C8x C 33.7167 -14.9804
23 C8y C 33.7101 -16.3801
24 C8y C 32.4973 -17.0855
25 C1y C 32.7958 -18.4574
26 C1y C 34.1929 -18.6022
27 O2x O 34.7607 -17.3158
28 C1c C 35.4171 -19.3058
29 C1a C 35.4242 -20.7100
30 C1a C 36.6379 -18.6144
31 O1a O 32.1079 -19.6797
32 O1a O 32.5101 -12.8708
33 C8y C 28.8564 -16.3674
34 C8y C 28.8698 -14.9738
35 C8x C 27.6686 -14.2619
36 C8x C 26.4541 -14.9506
37 C8x C 26.4407 -16.3443
38 C1a C 30.0058 -18.4874
39 O5x O 30.0899 -12.8708
40 O1a O 25.2284 -17.0337
41 C1a C 22.8081 -17.0408
42 O5x O 22.8010 -22.6432
43 O1a O 20.3809 -22.6292
44 O2a O 17.9747 -18.4379
45 C1a C 16.7612 -19.1436
BOND 51
1 21 18 1
2 9 12 1
3 21 33 1
4 11 10 1
5 22 23 1
6 10 7 1
7 1 2 2
8 5 6 1
9 6 1 1
10 23 24 2
11 24 25 1
12 25 26 1
13 26 27 1
14 27 23 1
15 2 8 1
16 26 28 1 #Down
17 7 3 1
18 28 29 1
19 11 12 2
20 28 30 1
21 12 13 1
22 25 31 1 #Up
23 13 14 2
24 17 32 1
25 14 15 1
26 15 16 2
27 16 11 1
28 3 4 2
29 22 17 2
30 33 34 2
31 34 35 1
32 35 36 2
33 36 37 1
34 37 5 2
35 5 33 1
36 17 19 1
37 21 38 1
38 18 24 1
39 20 39 2
40 4 1 1
41 2 40 1
42 7 8 2
43 9 41 1
44 8 9 1
45 10 42 2
46 18 19 2
47 16 43 1
48 19 20 1
49 14 44 1
50 20 34 1
51 44 45 1
| 
