ATOM 45
1 C1z C 29.2575 -21.1485
2 C1y C 28.5635 -19.9915
3 C1y C 30.2216 -19.8144
4 C1y C 30.5986 -21.1228
5 C1x C 28.6005 -22.3255
6 C1z C 29.2156 -18.8116
7 O2x O 27.2174 -20.0143
8 C1x C 29.2407 -20.1656
9 C2x C 31.2530 -19.9509
10 C1x C 27.2567 -22.3563
11 C2y C 30.5559 -18.7990
12 C1x C 28.5316 -17.6602
13 C1z C 26.5575 -21.1964
14 C2y C 31.2154 -17.6299
15 C1x C 29.1939 -16.4861
16 C1y C 25.8713 -20.0372
17 C1x C 25.9002 -22.3735
18 C2y C 30.5344 -16.5434
19 C1x C 32.5531 -17.6224
20 C1x C 24.5177 -20.0493
21 C1x C 25.8253 -21.3386
22 C1z C 24.5411 -22.3958
23 C1z C 31.2041 -15.3100
24 C1y C 33.2148 -16.4612
25 C1y C 23.8555 -21.2934
26 C1y C 24.5114 -21.0259
27 C1x C 23.8891 -23.5756
28 C1x C 32.5417 -15.3024
29 C1x C 31.8515 -14.1143
30 C1a C 30.4975 -14.1394
31 C1x C 33.8622 -15.2655
32 C1z C 22.5014 -21.2485
33 C1y C 23.1488 -20.0529
34 C1x C 22.5327 -23.5928
35 N1y N 33.1982 -14.1484
36 C1y C 21.8415 -22.5007
37 C1x C 21.8050 -20.0836
38 N1y N 20.6933 -21.1240
39 C1a C 33.9179 -12.7505
40 C1z C 20.4925 -22.4586
41 C1x C 20.4482 -20.1138
42 C1x C 19.5280 -23.1059
43 C1a C 18.9294 -20.2680
44 C1x C 19.7933 -21.2988
45 C1a C 20.1565 -23.9064
BOND 57
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 13 7 1 #Up
13 11 14 1
14 12 15 1
15 13 16 1
16 13 17 1
17 14 18 2
18 14 19 1
19 16 20 1
20 16 21 1 #Down
21 17 22 1
22 18 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1 #Up
28 23 29 1
29 23 30 1
30 24 31 1
31 25 32 1
32 26 33 1
33 27 34 1
34 29 35 1
35 32 36 1
36 32 37 1
37 33 38 1
38 35 39 1
39 36 40 1
40 37 41 1
41 38 42 1
42 38 43 1
43 40 44 1
44 40 45 1 #Up
45 4 3 1 #Down
46 6 8 1 #Down
47 9 11 2
48 13 10 1 #Down
49 15 18 1
50 22 25 1
51 22 26 1 #Down
52 24 28 1 #Up
53 31 35 1
54 32 33 1 #Down
55 34 36 1
56 40 42 1 #Down
57 41 44 1
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