ATOM 45
1 C8y C 25.0677 -15.7211
2 N4y N 24.0201 -15.0228
3 C8y C 26.3247 -14.8133
4 N5x N 25.2073 -17.1877
5 C1y C 22.7631 -15.4419
6 C8x C 24.5090 -13.6261
7 N5x N 25.9755 -13.6261
8 C8y C 27.5818 -15.3720
9 C8x C 26.5342 -17.7465
10 O2x O 21.5759 -14.5339
11 C1y C 22.2741 -16.6990
12 N5x N 27.7214 -16.8386
13 N1a N 28.6991 -14.5339
14 C1y C 20.5282 -15.3720
15 C1y C 20.9473 -16.6990
16 O1a O 23.1122 -17.8163
17 C1b C 19.2013 -14.9530
18 O2b O 20.4585 -17.9560
19 C8y C 12.1479 -19.4924
20 N4y N 13.1954 -20.1907
21 C8y C 10.8908 -20.4003
22 N5x N 12.0081 -18.0258
23 C1y C 14.4525 -19.7717
24 C8x C 12.7065 -21.5875
25 N5x N 11.2400 -21.5875
26 C8y C 9.6337 -19.8416
27 C8x C 10.6813 -17.4671
28 O2x O 15.6396 -20.6797
29 C1y C 14.8715 -18.5146
30 N5x N 9.4940 -18.3750
31 N1a N 8.5163 -20.6797
32 C1y C 16.6872 -19.8416
33 C1y C 16.2682 -18.5146
34 O1a O 14.1032 -17.3972
35 C1b C 18.0141 -20.2606
36 O1a O 16.7571 -17.2576
37 O2b O 19.0618 -19.3527
38 P1b P 20.4585 -19.3527
39 O1c O 21.8551 -19.3527
40 O1c O 20.4585 -20.7495
41 O2b O 19.2013 -13.5535
42 P1b P 19.2013 -12.1539
43 O1c O 19.2013 -10.7544
44 O1c O 20.6008 -12.1539
45 O1c O 17.8018 -12.1539
BOND 50
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 8 12 2
12 8 13 1
13 10 14 1
14 11 15 1
15 11 16 1 #Down
16 14 17 1 #Up
17 15 18 1 #Down
18 6 7 2
19 9 12 1
20 14 15 1
21 19 20 1
22 19 21 2
23 19 22 1
24 23 20 1 #Up
25 20 24 1
26 21 25 1
27 21 26 1
28 22 27 2
29 23 28 1
30 23 29 1
31 26 30 2
32 26 31 1
33 28 32 1
34 29 33 1
35 29 34 1 #Down
36 32 35 1 #Up
37 33 36 1 #Down
38 35 37 1
39 37 38 1
40 38 18 1
41 38 39 1
42 38 40 2
43 24 25 2
44 27 30 1
45 32 33 1
46 17 41 1
47 41 42 1
48 42 43 1
49 42 44 2
50 42 45 1
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