ATOM 45
1 C1z C 30.0813 -16.6751
2 C1y C 28.8196 -17.3053
3 C1y C 31.2847 -17.3053
4 C8y C 30.0930 -15.3025
5 C1x C 31.2614 -15.9806
6 C1z C 29.1639 -18.6196
7 O2x O 27.8565 -15.8554
8 C1x C 30.9216 -18.6196
9 C1y C 32.4634 -16.6284
10 C8y C 28.9246 -14.5789
11 C8y C 31.2964 -14.5789
12 C1x C 33.6375 -15.9515
13 N1y N 29.5723 -19.9162
14 C5x C 27.8032 -18.6138
15 C1x C 32.4693 -15.2675
16 N1y N 33.6492 -17.3170
17 C8y C 28.9246 -13.2122
18 C8x C 31.2964 -13.2122
19 C2y C 28.4811 -20.7168
20 C1x C 30.8107 -20.4835
21 C2y C 27.3420 -19.9687
22 O5x O 26.8215 -17.6450
23 C1a C 34.8292 -18.0011
24 C8x C 30.1104 -12.5282
25 O2a O 27.7448 -12.5282
26 C8y C 28.6095 -22.0487
27 C1x C 30.9392 -21.8387
28 C8y C 26.0454 -20.4017
29 C1a C 26.5588 -13.2064
30 C8y C 27.6280 -23.0009
31 C8y C 29.9238 -22.3988
32 C8y C 25.5830 -21.6752
33 C8x C 25.1688 -19.3618
34 O2x O 26.2845 -22.8307
35 C8y C 27.9607 -24.3328
36 C8x C 30.2622 -23.7422
37 C8y C 24.2456 -21.9145
38 C8x C 23.8371 -19.6011
39 C8x C 29.2748 -24.6946
40 O2a O 26.9907 -25.2781
41 C8y C 23.3704 -20.8803
42 O1a O 23.8838 -23.2402
43 C1a C 27.3187 -26.6040
44 O2a O 22.0211 -21.1079
45 C1a C 21.0045 -19.7821
BOND 54
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 1 #Up
13 6 14 1 #Down
14 9 15 1
15 9 16 1 #Down
16 10 17 1
17 11 18 2
18 13 19 1
19 13 20 1
20 14 21 1
21 14 22 2
22 16 23 1
23 17 24 2
24 17 25 1
25 19 26 1
26 20 27 1
27 21 28 1
28 25 29 1
29 26 30 2
30 26 31 1
31 28 32 2
32 28 33 1
33 30 34 1
34 30 35 1
35 31 36 2
36 32 37 1
37 33 38 2
38 35 39 2
39 35 40 1
40 37 41 2
41 37 42 1
42 40 43 1
43 41 44 1
44 44 45 1
45 6 8 1
46 7 10 1
47 11 15 1
48 12 16 1
49 18 24 1
50 19 21 2
51 27 31 1
52 32 34 1
53 36 39 1
54 38 41 1
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