ATOM 52
1 C2b C 17.6680 -12.8308
2 C1a C 18.5480 -11.7591
3 C1x C 20.9697 -16.6959
4 C1y C 19.7239 -16.0508
5 C1y C 19.2992 -14.7168
6 C1y C 19.9327 -13.3435
7 C1x C 21.2623 -12.8473
8 C1y C 22.5080 -13.7022
9 C8y C 22.9399 -15.0400
10 C8y C 22.2992 -16.2766
11 N4x N 24.3208 -15.2719
12 C8y C 24.5246 -16.6572
13 C8y C 23.2824 -17.2668
14 C8x C 23.1890 -18.6555
15 C8x C 24.3519 -19.4347
16 C8x C 25.6012 -18.8182
17 C8x C 25.6876 -17.4295
18 N1y N 18.4039 -16.5415
19 C1x C 17.5839 -15.4052
20 C2y C 18.1615 -14.1325
21 C7a C 20.4167 -14.7102
22 O7a O 20.6197 -15.7626
23 C1a C 21.8318 -15.3379
24 O6a O 20.9675 -13.7079
25 C1a C 18.0327 -17.8886
26 C1z C 28.7447 -12.5947
27 C1y C 29.4770 -11.6143
28 C1x C 29.7260 -13.3778
29 C1y C 30.6148 -12.3423
30 C1y C 31.4232 -11.4870
31 C1x C 32.4734 -12.2887
32 C1b C 31.8296 -10.1382
33 C8y C 25.6702 -11.8794
34 N4x N 26.8206 -13.4996
35 C8y C 25.6716 -13.0972
36 C8x C 24.6098 -11.2711
37 C8x C 24.6098 -13.7197
38 C8y C 23.5655 -11.8794
39 C8y C 23.5655 -13.0972
40 C8y C 27.5382 -12.5135
41 C8y C 26.8417 -11.5233
42 C1x C 27.1800 -10.3484
43 C1x C 28.3043 -9.8882
44 N1y N 29.3642 -10.4743
45 C1x C 30.2464 -8.8324
46 C7a C 28.6029 -13.8856
47 O7a O 29.6242 -14.8299
48 C1a C 29.2720 -16.4137
49 O6a O 27.7192 -14.7210
50 C1a C 33.2015 -9.8163
51 O2a O 22.5150 -11.2779
52 C1a C 21.1849 -11.8770
BOND 60
1 6 5 1 #Up
2 18 25 1
3 6 7 1
4 7 8 1
5 8 9 1
6 10 3 1
7 12 13 2
8 13 14 1
9 14 15 2
10 15 16 1
11 16 17 2
12 17 12 1
13 4 18 1
14 1 2 1
15 18 19 1
16 3 4 1
17 19 20 1
18 20 6 1
19 1 20 2
20 9 10 2
21 10 13 1
22 5 21 1
23 12 11 1
24 21 22 1
25 11 9 1
26 28 29 1
27 30 31 1
28 26 27 1
29 26 28 1
30 27 30 1
31 41 33 1
32 40 34 1
33 33 35 2
34 33 36 1
35 35 37 1
36 36 38 2
37 37 39 2
38 34 35 1
39 38 39 1
40 40 41 2
41 41 42 1
42 40 26 1
43 42 43 1
44 43 44 1
45 27 44 1
46 44 45 1 #Up
47 26 46 1 #Down
48 46 47 1
49 47 48 1
50 46 49 2
51 29 45 1 #Up
52 29 31 1
53 32 50 1
54 30 32 1 #Up
55 22 23 1
56 4 5 1 #Up
57 38 51 1
58 21 24 2
59 51 52 1
60 39 8 1
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