ATOM 40
1 C1y C 25.2041 -19.6800
2 C5x C 26.3684 -19.0026
3 N1x N 27.5327 -19.6729
4 C1y C 28.6969 -18.9955
5 C8x C 24.6973 -14.7654
6 C8y C 24.6973 -16.1131
7 C8x C 25.8678 -16.7835
8 C8x C 27.0312 -16.1131
9 C8y C 27.0312 -14.7654
10 C8x C 25.8678 -14.0880
11 C2x C 28.1994 -14.0889
12 O2x O 23.5302 -16.7840
13 C1y C 23.5308 -18.7174
14 C2x C 29.8746 -15.0565
15 N1x N 29.8718 -16.9869
16 C5x C 28.6939 -17.6478
17 O5x O 26.3654 -17.6550
18 O5x O 27.5303 -16.9705
19 N1b N 25.2052 -21.0277
20 C1c C 22.3593 -19.3919
21 C1a C 21.1910 -18.7230
22 C1a C 22.3608 -20.7467
23 C5a C 26.3733 -21.7042
24 C1c C 26.3745 -23.0519
25 O5a O 27.5405 -21.0258
26 N1b N 25.2003 -23.7301
27 C1c C 27.5425 -23.7282
28 C1a C 27.5437 -25.0761
29 C1a C 24.0321 -23.0537
30 C1a C 28.7096 -23.0500
31 C8y C 31.0251 -18.9853
32 C1b C 29.7989 -19.5450
33 N4x N 32.6385 -17.5137
34 C8x C 31.2974 -17.6582
35 C8y C 33.1912 -18.7467
36 C8y C 32.1883 -19.6436
37 C8x C 32.4693 -20.9664
38 C8x C 33.7533 -21.3782
39 C8x C 34.7561 -20.4815
40 C8x C 34.4752 -19.1657
BOND 43
1 1 19 1 #Up
2 9 10 1
3 13 20 1 #Down
4 10 5 2
5 20 21 1
6 2 3 1
7 20 22 1
8 9 11 1
9 19 23 1
10 1 2 1
11 23 24 1
12 6 12 1
13 23 25 2
14 3 4 1
15 24 26 1 #Down
16 12 13 1
17 24 27 1
18 4 32 1 #Down
19 27 28 1
20 11 14 2
21 26 29 1
22 13 1 1
23 27 30 1
24 14 15 1
25 32 31 1
26 5 6 1
27 4 16 1
28 31 36 1
29 35 33 1
30 33 34 1
31 34 31 2
32 16 15 1
33 6 7 2
34 2 17 2
35 7 8 1
36 16 18 2
37 8 9 2
38 35 36 2
39 36 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 40 35 1
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