ATOM 44
1 C8x C 23.5456 -16.9324
2 C8x C 23.5485 -18.2427
3 C8x C 24.6896 -18.8919
4 C8x C 24.6838 -16.2711
5 C8y C 25.8248 -16.9273
6 C8y C 25.8277 -18.2376
7 N1y N 27.1566 -18.7231
8 C1y C 27.9666 -17.6042
9 C1z C 27.1370 -16.4871
10 C1x C 30.2086 -14.5386
11 C1y C 29.6949 -19.0028
12 C1x C 29.4105 -15.5311
13 C1y C 28.1074 -15.3917
14 C1y C 29.1793 -17.7810
15 C1y C 29.9383 -16.7278
16 C2y C 31.2424 -16.6690
17 C2x C 32.1065 -17.6431
18 O2x O 30.7307 -19.5459
19 C1x C 31.8792 -18.9159
20 N1y N 27.5773 -14.2057
21 C1x C 26.3013 -14.3999
22 C1x C 25.8275 -15.6096
23 C8x C 32.4767 -22.1916
24 C8x C 32.4738 -20.8813
25 C8x C 31.3328 -20.2179
26 C8x C 31.3386 -22.8529
27 C8y C 30.1976 -22.1967
28 C8y C 30.1947 -20.8864
29 N1y N 28.8658 -20.4009
30 C1y C 28.0557 -21.5198
31 C1z C 28.8853 -22.6369
32 C1x C 25.8138 -24.5854
33 C1y C 26.3275 -20.1214
34 C1x C 26.6119 -23.5931
35 C1y C 27.9150 -23.7254
36 C1y C 26.8431 -21.3359
37 C1y C 26.0841 -22.3890
38 C2y C 24.7800 -22.4550
39 C2x C 23.9159 -21.4809
40 O2x O 25.2917 -19.5713
41 C1x C 24.1432 -20.1940
42 N1y N 28.4450 -24.9183
43 C1x C 29.7210 -24.7241
44 C1x C 30.1948 -23.5146
BOND 56
1 8 14 1
2 15 12 1
3 12 13 1
4 1 2 1
5 2 3 2
6 23 24 1
7 24 25 2
8 25 28 1
9 27 26 1
10 26 23 2
11 27 28 2
12 14 15 1
13 7 8 1
14 15 16 1
15 29 30 1
16 30 31 1
17 31 27 1
18 28 29 1
19 8 9 1
20 16 17 2
21 33 36 1
22 9 5 1
23 6 7 1
24 17 19 1
25 30 36 1
26 37 34 1
27 34 35 1
28 18 19 1
29 11 18 1
30 36 37 1
31 3 6 1
32 37 38 1
33 13 20 1
34 38 39 2
35 5 4 1
36 20 21 1
37 39 41 1
38 40 41 1
39 33 40 1
40 11 14 1
41 35 42 1
42 21 22 1
43 42 43 1
44 43 44 1
45 32 38 1
46 42 32 1
47 10 16 1
48 20 10 1
49 4 1 2
50 7 33 1
51 11 29 1
52 5 6 2
53 13 9 1
54 9 22 1 #Up
55 35 31 1
56 31 44 1 #Up
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