ATOM 47
1 C8y C 27.3341 -14.3568
2 C8y C 28.4411 -15.0443
3 C1y C 26.0873 -15.0384
4 C8y C 27.2700 -13.0052
5 C8y C 29.6238 -14.3568
6 O2x O 28.4018 -17.2219
7 C1x C 26.0814 -16.4017
8 N1y N 24.9103 -14.3452
9 C8x C 28.4411 -12.3177
10 C1x C 26.0990 -12.3117
11 C8y C 29.6238 -13.0052
12 O2a O 30.8006 -15.0443
13 C8y C 29.8238 -18.9594
14 C8y C 24.9046 -17.0718
15 C1x C 24.9394 -13.0052
16 C1a C 23.7335 -15.0151
17 O2a O 30.8006 -12.3177
18 C1a C 31.9659 -14.3568
19 C8x C 29.8236 -20.3228
20 C8y C 30.9656 -18.2196
21 C8y C 24.9046 -18.4292
22 C8x C 23.7335 -16.3843
23 C1a C 31.9716 -12.9935
24 C8y C 31.1055 -20.9287
25 C8x C 32.1833 -18.8371
26 O2a O 30.9656 -16.8562
27 C8y C 23.7219 -19.1051
28 C8x C 22.5508 -17.0602
29 C8y C 32.1716 -20.1888
30 C2y C 31.1054 -22.2862
31 C1a C 32.0376 -16.1280
32 C8y C 22.5449 -18.4235
33 O2x O 23.7160 -20.4627
34 C1x C 33.4534 -20.8006
35 C1x C 29.2634 -23.0378
36 N2x N 32.3930 -22.9038
37 O2a O 21.3738 -19.0877
38 C8y C 24.9046 -21.1093
39 C1x C 33.4416 -22.1463
40 C8y C 27.2174 -22.4202
41 C1a C 21.3738 -20.4394
42 C8x C 26.0697 -20.4044
43 C8x C 24.9336 -22.4785
44 C8x C 27.2641 -21.0628
45 C8x C 26.1280 -23.1310
46 O2a O 26.1185 -19.1337
47 C1a C 27.3362 -18.4343
BOND 53
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1 #Up
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 12 18 1
18 13 19 2
19 13 20 1
20 14 21 1
21 14 22 2
22 17 23 1
23 19 24 1
24 20 25 2
25 20 26 1
26 21 27 2
27 22 28 1
28 24 29 2
29 24 30 1
30 26 31 1
31 27 32 1
32 27 33 1
33 29 34 1
34 30 35 1
35 30 36 2
36 32 37 1
37 33 38 1
38 34 39 1
39 35 40 1
40 37 41 1
41 38 42 2
42 38 43 1
43 40 44 2
44 40 45 1
45 9 11 2
46 10 15 1
47 25 29 1
48 28 32 2
49 36 39 1
50 42 44 1
51 43 45 2
52 21 46 1
53 46 47 1
|