ATOM 39
1 C8x C 25.5958 -15.7130
2 C8x C 28.0296 -15.7130
3 C8x C 26.8163 -15.0101
4 C8y C 25.5958 -17.1189
5 N1x N 24.3767 -17.8244
6 C8y C 25.5987 -19.9358
7 C8y C 24.3851 -19.2321
8 C8y C 23.1688 -19.9312
9 C8x C 23.1663 -21.3340
10 C8x C 24.3798 -22.0378
11 C8x C 25.5960 -21.3386
12 C8y C 28.0296 -17.1189
13 C8y C 26.8127 -17.8159
14 N1y N 26.8079 -19.2182
15 C1y C 29.2416 -17.8242
16 C8y C 29.2368 -19.2265
17 C8y C 28.0248 -19.9168
18 C8x C 28.0170 -21.3115
19 C8y C 29.2208 -22.0158
20 C8y C 30.4406 -19.9306
21 C8y C 30.4310 -21.3220
22 N5x N 31.6312 -22.0260
23 N5x N 31.6503 -19.2432
24 C8y C 32.8505 -19.9472
25 C8y C 32.8379 -21.3364
26 C8x C 34.0347 -22.0418
27 C8x C 35.3141 -21.3582
28 C8x C 35.2567 -19.9690
29 C8y C 34.0599 -19.2635
30 C1a C 30.4615 -17.1255
31 C1c C 34.0727 -17.8578
32 O1a O 35.2964 -17.1657
33 C1a C 32.8616 -17.1438
34 C6a C 29.2145 -23.4217
35 O6a O 27.9938 -24.1191
36 O6a O 30.4290 -24.1300
37 C6a C 21.9526 -19.2260
38 O6a O 21.9553 -17.8201
39 O6a O 20.7339 -19.9266
BOND 45
1 16 17 2
2 17 18 1
3 18 19 2
4 19 21 1
5 20 16 1
6 13 4 2
7 6 7 2
8 7 8 1
9 8 9 2
10 20 21 1
11 21 22 2
12 22 25 1
13 24 23 1
14 23 20 2
15 9 10 1
16 10 11 2
17 11 6 1
18 4 5 1
19 5 7 1
20 6 14 1
21 24 25 2
22 25 26 1
23 26 27 2
24 27 28 1
25 28 29 2
26 29 24 1
27 12 2 2
28 15 30 1
29 12 13 1
30 29 31 1
31 13 14 1
32 31 32 1
33 17 14 1
34 31 33 1
35 16 15 1
36 19 34 1
37 15 12 1
38 34 35 2
39 2 3 1
40 34 36 1
41 3 1 2
42 8 37 1
43 37 38 1
44 1 4 1
45 37 39 2
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