ATOM 36
1 N1b N 25.3181 -21.4406
2 C5a C 26.5239 -22.1474
3 C8y C 26.5146 -23.5452
4 O5a O 27.7391 -21.4567
5 C8x C 25.3001 -24.2350
6 C8y C 25.2906 -25.6328
7 C8y C 26.4965 -26.3398
8 C8x C 27.7116 -25.6490
9 C8y C 27.7211 -24.2512
10 X I 24.0755 -26.3235
11 N2b N 26.5568 -27.7374
12 N0 N 27.6913 -28.4617 #+
13 N2a N 28.8931 -29.1757 #-
14 C8y C 25.3149 -20.0428
15 C8x C 24.0943 -17.9389
16 C8x C 24.0943 -19.3439
17 C8x C 25.3149 -17.2331
18 C8y C 26.5283 -17.9389
19 C8y C 26.5222 -19.3439
20 N5x N 27.7369 -20.0478
21 C8x C 28.9575 -19.3542
22 C8x C 28.9634 -17.9493
23 C8y C 27.7489 -17.2382
24 C1c C 27.7442 -15.8353
25 C1y C 28.9585 -15.1364
26 N1y N 30.4308 -14.3023
27 C1x C 30.4300 -13.0465
28 C1x C 31.9384 -15.0995
29 C1y C 29.6692 -13.2872
30 C1y C 29.6752 -12.2986
31 C1x C 31.2375 -13.9943
32 C1b C 29.1492 -11.0003
33 C1x C 28.2640 -14.1322
34 O1a O 26.5329 -15.1376
35 C1a C 30.0089 -9.8980
36 O1a O 28.9359 -23.5600
BOND 40
1 2 4 2
2 11 12 2
3 12 13 2
4 3 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 3 1
10 2 3 1
11 6 10 1
12 1 2 1
13 23 24 1
14 15 16 1
15 25 26 1
16 24 25 1
17 16 14 2
18 14 19 1
19 18 17 1
20 17 15 2
21 18 19 2
22 19 20 1
23 26 27 1
24 26 28 1
25 33 29 1
26 27 30 1
27 28 31 1
28 30 32 1 #Up
29 29 30 1
30 29 31 1
31 25 33 1
32 20 21 2
33 21 22 1
34 24 34 1 #Up
35 22 23 2
36 23 18 1
37 32 35 1
38 14 1 1
39 7 11 1
40 9 36 1
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