ATOM 53
1 C1y C 28.6149 -13.7734
2 N1y N 28.3869 -12.4220
3 C1x C 27.0330 -12.2281
4 C1x C 26.4281 -13.4596
5 C1x C 30.7287 -12.1631
6 C1x C 29.5417 -11.6317
7 C1y C 30.8755 -13.4833
8 C1z C 29.8341 -14.2565
9 C1x C 30.2450 -15.4910
10 C1x C 31.5418 -15.4767
11 O2x O 31.9332 -14.2339
12 C1z C 27.3548 -14.3830
13 N1y N 26.1908 -16.4463
14 C1z C 27.3978 -18.5183
15 C1x C 28.5783 -17.8257
16 C1x C 26.2098 -17.8391
17 C2y C 28.5803 -23.3291
18 C1z C 27.3778 -22.6776
19 C1y C 27.3619 -21.3028
20 N1y N 26.0604 -20.8814
21 C1x C 25.2623 -21.9930
22 C1x C 26.0714 -23.0913
23 C1y C 26.0275 -19.2985
24 C1y C 28.5328 -19.1833
25 C1z C 28.5936 -20.5600
26 C2y C 29.6510 -22.5816
27 C1x C 29.6603 -21.2042
28 C1x C 29.7855 -20.8416
29 O2x O 29.6781 -18.7522
30 C1x C 30.3942 -19.6829
31 C7a C 30.9270 -23.2139
32 O7a O 32.0759 -22.4788
33 O6a O 30.9186 -24.5976
34 C1z C 27.3838 -15.7826
35 C1y C 28.5482 -16.4957
36 C1x C 29.8167 -15.8404
37 O2x O 27.3697 -17.1472
38 C1a C 33.2429 -23.1546
39 C8y C 26.3866 -23.6199
40 C8y C 26.9765 -24.8538
41 N1x N 28.3323 -24.6741
42 C8x C 24.9908 -23.5113
43 C8x C 24.1989 -24.6658
44 C8x C 24.7888 -25.8997
45 C8x C 26.1846 -26.0083
46 C8y C 25.9760 -14.1386
47 C8y C 25.2609 -15.2368
48 C8x C 25.3073 -12.9086
49 C8x C 23.9078 -12.8727
50 C8x C 23.1927 -14.0408
51 C8y C 23.8614 -15.2708
52 O2a O 23.1674 -16.4710
53 C1a C 21.7701 -16.4700
BOND 66
1 12 4 1 #Up
2 12 1 1
3 6 2 1
4 2 3 1
5 3 4 1
6 18 19 1
7 19 20 1
8 20 21 1
9 21 22 1
10 18 22 1 #Up
11 1 2 1
12 24 25 1
13 1 8 1
14 25 19 1
15 17 26 2
16 26 27 1
17 27 25 1
18 7 5 1
19 25 28 1 #Down
20 24 29 1
21 13 34 1
22 30 28 1
23 29 30 1
24 26 31 1
25 7 8 1
26 31 32 1
27 31 33 2
28 23 20 1
29 23 14 1
30 14 24 1
31 8 9 1 #Down
32 9 10 1
33 10 11 1
34 14 15 1 #Up
35 15 35 1
36 13 16 1
37 12 34 1
38 34 35 1
39 35 36 1
40 36 8 1
41 14 16 1 #Down
42 17 18 1
43 11 7 1
44 34 37 1 #Up
45 37 23 1
46 5 6 1
47 32 38 1
48 18 39 1
49 39 40 1
50 40 41 1
51 17 41 1
52 39 42 2
53 42 43 1
54 43 44 2
55 44 45 1
56 40 45 2
57 12 46 1
58 46 47 1
59 13 47 1
60 46 48 2
61 48 49 1
62 49 50 2
63 50 51 1
64 47 51 2
65 51 52 1
66 52 53 1
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