ATOM 46
1 C8y C 28.5828 -15.5553
2 C8y C 29.8592 -16.2547
3 C1y C 27.4581 -16.2488
4 C8y C 28.5887 -14.1683
5 C8y C 31.0657 -15.5553
6 C1x C 27.4523 -17.6302
7 N1y N 26.2576 -15.5437
8 C8x C 29.8592 -13.4689
9 C1x C 27.4697 -13.4630
10 C8y C 31.0657 -14.1683
11 O2a O 32.2604 -16.2547
12 C8y C 30.8616 -19.4893
13 C8y C 26.2517 -18.3179
14 C1x C 26.2167 -14.1683
15 C1a C 25.0511 -16.2197
16 O2a O 32.2604 -13.4689
17 C1a C 33.4434 -15.5553
18 C8y C 29.6960 -20.2411
19 C8x C 32.0271 -20.1187
20 C8x C 26.2517 -19.7047
21 C8x C 25.0511 -17.6126
22 C1a C 33.4551 -14.1567
23 C8x C 29.6960 -21.6338
24 O2a O 28.4664 -19.6117
25 C8y C 32.0913 -21.5058
26 C8y C 25.0395 -20.3925
27 C8x C 23.8505 -18.3062
28 C8y C 31.0073 -22.2575
29 C1x C 33.3968 -22.1235
30 C8y C 23.8448 -19.6990
31 O2x O 25.0336 -21.7796
32 C1y C 31.0073 -23.6387
33 C1x C 33.3851 -23.5047
34 O2a O 22.6500 -20.3750
35 C8y C 26.2516 -22.4440
36 C1x C 29.9058 -24.4023
37 N1y N 32.3128 -24.2682
38 C8x C 27.4407 -21.7214
39 C8x C 26.2809 -23.8311
40 C8y C 28.6761 -23.7727
41 C1a C 32.3302 -25.6494
42 C8x C 28.7228 -22.3858
43 C8x C 27.4988 -24.4955
44 O2x O 30.8613 -18.0968
45 C1a C 22.7079 -21.7694
46 C1a C 27.3943 -20.5914
BOND 52
1 1 4 2
2 2 5 2
3 3 6 1 #Down
4 3 7 1
5 4 8 1
6 4 9 1
7 5 10 1
8 5 11 1
9 6 13 1
10 7 14 1
11 7 15 1
12 10 16 1
13 11 17 1
14 12 18 2
15 12 19 1
16 13 20 1
17 13 21 2
18 16 22 1
19 18 23 1
20 18 24 1
21 19 25 2
22 20 26 2
23 21 27 1
24 23 28 2
25 25 29 1
26 26 30 1
27 26 31 1
28 28 32 1
29 29 33 1
30 30 34 1
31 31 35 1
32 32 36 1 #Up
33 32 37 1
34 35 38 1
35 35 39 2
36 36 40 1
37 37 41 1
38 38 42 2
39 39 43 1
40 8 10 2
41 9 14 1
42 25 28 1
43 27 30 2
44 33 37 1
45 40 42 1
46 40 43 2
47 12 44 1
48 44 2 1
49 1 2 1
50 1 3 1
51 34 45 1
52 24 46 1
| 
