ATOM 52
1 C8y C 33.5151 -15.2721
2 C8y C 33.5228 -13.9060
3 N2y N 34.7980 -15.6947 #+
4 C8x C 32.3228 -15.9361
5 C1x C 34.8207 -13.4911
6 C8x C 32.3530 -13.2193
7 C1y C 35.6206 -14.6004
8 C2b C 34.7980 -17.0679
9 C8y C 31.1531 -15.2493
10 C8y C 31.1682 -13.8835
11 C6a C 36.9865 -14.5928
12 C2b C 35.9828 -17.7547
13 O1a O 29.9682 -15.9135
14 O2a O 29.3963 -13.0575
15 O6a O 37.6658 -13.4079
16 O6a O 37.6658 -15.7850 #-
17 C2y C 35.9828 -19.1282
18 C1y C 27.3740 -13.8703
19 C1x C 34.7980 -19.7998
20 C2x C 37.1677 -19.7998
21 O2x O 26.1815 -13.2138
22 C1y C 27.4042 -15.2438
23 C1y C 34.7980 -21.1733
24 C2y C 37.1677 -21.1733
25 C1y C 25.0194 -13.9156
26 C1y C 26.2344 -15.9382
27 O1a O 28.4639 -15.9080
28 N1x N 35.9828 -21.8600
29 C6a C 33.6208 -21.8600
30 C6a C 38.3525 -21.8600
31 C1y C 24.9570 -15.2817
32 C1b C 23.8120 -13.2516
33 O1a O 26.2570 -17.3117
34 O6a O 32.4285 -21.1733
35 O6a O 33.6208 -23.2259
36 O6a O 38.3525 -23.2259
37 O6a O 39.5373 -21.1733
38 O1a O 23.8647 -15.9835
39 O7a O 22.6497 -13.9458
40 C7a C 21.4574 -13.3044
41 C2b C 20.2953 -13.9988
42 O6a O 21.5200 -11.9385
43 C2b C 19.1105 -13.3497
44 C8y C 17.9484 -14.0515
45 C8x C 16.7636 -13.3724
46 C8x C 17.9484 -15.4099
47 C8y C 15.5787 -14.0515
48 C8x C 16.7636 -16.0967
49 C8y C 15.5864 -15.4174
50 O2a O 14.4090 -13.3799
51 O1a O 14.4090 -16.0890
52 C1a C 13.2318 -14.0515
BOND 56
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 6 10 2
10 7 11 1 #Up
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 2
17 18 14 1 #Up
18 17 19 1
19 17 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 23 29 1 #Down
29 24 30 1
30 25 31 1
31 25 32 1 #Up
32 26 33 1 #Up
33 29 34 1
34 29 35 2
35 30 36 1
36 30 37 2
37 31 38 1 #Down
38 32 39 1
39 39 40 1
40 40 41 1
41 40 42 2
42 41 43 2
43 43 44 1
44 44 45 1
45 44 46 2
46 45 47 2
47 46 48 1
48 47 49 1
49 47 50 1
50 49 51 1
51 50 52 1
52 5 7 1
53 9 10 1
54 24 28 1
55 26 31 1
56 48 49 2
| 
