ATOM 40
1 C8y C 27.0957 -25.5925
2 C8y C 25.8319 -26.1397
3 N4x N 27.1924 -24.2067
4 C8y C 28.4506 -26.1094
5 C8y C 24.5312 -25.6175
6 C8y C 28.5350 -23.8920
7 C8y C 29.2706 -25.0582
8 C1y C 23.3044 -26.2367
9 N5x N 24.3117 -24.2439
10 C8x C 29.0335 -22.6519
11 N4x N 24.2152 -21.2726
12 C1y C 22.3193 -25.3186
13 C8y C 22.9645 -24.0185
14 C8y C 28.5231 -21.4061
15 C8y C 24.3916 -19.8990
16 C8y C 22.8415 -21.5157
17 C8x C 22.4042 -22.7977
18 C8y C 29.1491 -20.1539
19 N5x N 27.1555 -21.1998
20 C8y C 23.1397 -19.3169
21 C8x C 25.6436 -19.2252
22 C8y C 22.1857 -20.3067
23 C8y C 28.1655 -19.2004
24 C8y C 26.9313 -19.8454
25 C2b C 23.1978 -17.9125
26 C1a C 20.7945 -20.3067
27 C1a C 28.1463 -17.8028
28 C2a C 24.3316 -17.2035
29 C1b C 30.5215 -19.9235
30 C1a C 31.4566 -21.0593
31 C5x C 27.9736 -27.5066
32 C1b C 23.2482 -27.6114
33 C1b C 22.0310 -28.2428
34 C6a C 22.0376 -29.6176
35 O6a O 20.7503 -30.2563
36 O6a O 23.1287 -30.3536
37 C1a C 20.8522 -25.3862
38 C1a C 30.6087 -25.0527
39 C1x C 26.4359 -27.5513
40 O5x O 28.8144 -28.7090
BOND 45
1 14 18 1
2 14 19 2
3 15 20 2
4 15 21 1
5 16 22 2
6 18 23 2
7 19 24 1
8 20 25 1
9 22 26 1
10 23 27 1
11 6 7 1
12 12 13 1
13 16 17 1
14 20 22 1
15 21 24 2
16 23 24 1
17 25 28 2
18 18 29 1
19 29 30 1
20 1 2 2
21 4 31 1
22 1 3 1
23 8 32 1 #Up
24 1 4 1
25 32 33 1
26 2 5 1
27 33 34 1
28 3 6 1
29 34 35 1
30 4 7 2
31 34 36 2
32 5 8 1
33 12 37 1 #Down
34 5 9 2
35 7 38 1
36 6 10 2
37 8 12 1
38 2 39 1
39 39 31 1
40 9 13 1
41 31 40 2
42 10 14 1
43 11 15 1
44 11 16 1
45 13 17 2
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