ATOM 61
1 N1x N 34.9807 -10.7772
2 C1z C 34.9807 -12.1674
3 C1x C 36.1864 -12.8659
4 C1x C 37.3850 -12.1674
5 C1y C 37.3850 -10.7772
6 C1x C 36.1864 -10.0858
7 C1y C 32.6293 -13.5340
8 C1y C 33.8136 -14.2266
9 C1y C 32.6351 -12.1674
10 C1x C 33.7785 -15.5232
11 O2x O 34.9749 -13.5397
12 C1a C 31.6539 -11.2058
13 C1y C 31.4191 -15.5574
14 C1z C 31.4191 -14.2027
15 C1x C 25.4917 -16.2116
16 C1y C 25.4917 -17.5806
17 C1x C 26.6835 -18.2651
18 C1x C 26.6835 -15.5273
19 C1z C 27.8610 -16.2116
20 C2y C 27.8549 -17.5806
21 C2x C 29.0406 -18.2701
22 C1x C 30.2254 -17.5909
23 C1y C 29.0527 -15.5325
24 C1y C 30.2255 -16.2250
25 C1x C 30.2484 -13.4947
26 C1x C 29.0640 -14.1673
27 O2a O 24.2994 -18.3709
28 C1a C 27.8485 -14.8428
29 C1a C 31.4187 -12.8178
30 C1a C 38.5884 -10.0866
31 C1y C 18.3454 -21.9362
32 C1y C 18.3409 -23.3062
33 O2x O 17.1589 -21.2619
34 C1y C 17.1617 -23.9878
35 O1a O 19.5446 -24.0049
36 C1y C 15.9609 -21.9281
37 C1y C 15.9760 -23.3083
38 O1a O 17.1602 -25.3631
39 C1a C 14.7823 -21.2558
40 O1a O 14.7803 -23.9848
41 C1y C 25.4988 -21.9412
42 C1y C 26.6783 -21.2675
43 O2x O 25.4929 -23.3144
44 C1y C 27.8673 -21.9517
45 O1a O 26.6915 -19.8884
46 C1y C 26.6685 -24.0061
47 C1y C 27.8561 -23.3277
48 O1a O 29.0494 -21.2833
49 C1a C 26.6581 -25.3954
50 O1a O 29.0339 -24.0115
51 C1y C 23.1140 -19.2034
52 C1y C 23.1119 -20.5617
53 O2x O 21.9269 -18.5126
54 C1y C 21.9313 -21.2558
55 O2a O 24.3061 -21.2524
56 C1y C 20.7528 -19.1958
57 C1y C 20.7443 -20.5651
58 O1a O 21.9291 -22.6140
59 C1b C 19.5623 -18.5109
60 O2a O 19.5645 -21.2584
61 O1a O 19.5628 -17.1438
BOND 69
1 20 21 2
2 21 22 1
3 22 24 1
4 23 19 1
5 14 29 1 #Up
6 3 4 1
7 5 30 1 #Down
8 4 5 1
9 5 6 1
10 6 1 1
11 14 7 1
12 7 8 1
13 7 9 1
14 13 10 1
15 8 11 1
16 9 2 1
17 9 12 1 #Down
18 8 10 1
19 11 2 1
20 2 1 1 #Down
21 2 3 1 #Up
22 15 16 1
23 23 24 1
24 24 13 1
25 14 25 1
26 25 26 1
27 26 23 1
28 16 17 1
29 17 20 1
30 19 18 1
31 14 13 1
32 18 15 1
33 16 27 1 #Up
34 19 20 1
35 19 28 1 #Up
36 42 45 1 #Down
37 43 46 1
38 44 47 1
39 44 48 1 #Down
40 46 49 1 #Down
41 47 50 1 #Up
42 46 47 1
43 36 37 1
44 31 32 1
45 31 33 1
46 32 34 1
47 32 35 1 #Down
48 33 36 1
49 34 37 1
50 34 38 1 #Down
51 36 39 1 #Down
52 37 40 1 #Up
53 51 52 1
54 51 53 1
55 52 54 1
56 52 55 1 #Down
57 53 56 1
58 54 57 1
59 54 58 1 #Up
60 56 59 1 #Up
61 57 60 1 #Down
62 59 61 1
63 56 57 1
64 41 42 1
65 41 43 1
66 42 44 1
67 51 27 1 #Up
68 41 55 1 #Up
69 31 60 1 #Up
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