ATOM 47
1 C8x C 11.6200 -19.0400
2 C8x C 11.6200 -20.4400
3 C8y C 12.8324 -21.1400
4 C8y C 14.0449 -20.4400
5 C8x C 14.0449 -19.0400
6 C8y C 12.8324 -18.3400
7 O2a O 15.2824 -21.1400
8 C8y C 16.4949 -20.4400
9 C8x C 17.7260 -21.1510
10 C8x C 18.9385 -20.4512
11 C8y C 18.9387 -19.0512
12 C8x C 17.7076 -18.3402
13 C8x C 16.4951 -19.0400
14 C1b C 20.1824 -18.3400
15 C8y C 21.3949 -19.0400
16 N5y N 21.3949 -20.4398 #+
17 C8x C 22.6073 -21.1398
18 C8x C 23.8197 -20.4398
19 C8y C 23.8197 -19.0400
20 C8y C 22.6073 -18.3400
21 O2a O 12.8324 -22.5398
22 C1a C 11.6032 -23.2497
23 C1b C 12.8324 -16.9402
24 C8y C 11.6032 -16.2303
25 C8y C 11.6035 -14.8401
26 C8y C 10.3912 -14.1399
27 C8x C 9.1786 -14.8396
28 C8x C 9.1783 -16.2298
29 N5y N 10.3906 -16.9301 #+
30 C8x C 12.8160 -14.1403
31 C8y C 12.8163 -12.7403
32 C8y C 11.6040 -12.0401
33 C8x C 10.3914 -12.7399
34 O2a O 14.0243 -12.0432
35 C1a C 15.2169 -12.7322
36 O2a O 11.6043 -10.6401
37 C1a C 12.8286 -9.9334
38 C1a C 10.3906 -18.3301
39 C1a C 20.2013 -21.3391
40 C8x C 25.0321 -18.3400
41 C8y C 25.0322 -16.9400
42 C8y C 23.8198 -16.2400
43 C8x C 22.6073 -16.9400
44 O2a O 23.8198 -14.8401
45 C1a C 25.0174 -14.1486
46 O2a O 26.2653 -16.2278
47 C1a C 27.4715 -16.9241
BOND 52
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 3 21 1
24 21 22 1
25 6 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 24 29 1
33 25 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 26 33 1
38 31 34 1
39 34 35 1
40 32 36 1
41 36 37 1
42 29 38 1
43 16 39 1
44 19 40 1
45 40 41 2
46 41 42 1
47 42 43 2
48 20 43 1
49 42 44 1
50 44 45 1
51 41 46 1
52 46 47 1
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