ATOM 59
1 C1z C 23.8456 -20.3181
2 C1a C 23.8489 -22.1275
3 N1c N 20.9606 -20.8734
4 C1y C 22.1302 -20.1206
5 C1y C 22.9378 -21.3901
6 C1y C 24.5797 -20.7565
7 C1y C 26.0294 -21.1997
8 O2x O 24.8350 -19.8039
9 C1a C 22.9525 -19.1074
10 O1a O 22.9585 -22.7793
11 O1a O 25.5602 -21.9277
12 O2a O 27.2398 -20.5261
13 C8y C 30.3189 -23.4191
14 C8y C 30.3189 -24.7452
15 C8x C 31.4606 -25.4151
16 C8y C 32.6092 -24.7452
17 C8x C 32.6092 -23.4191
18 C8x C 31.4606 -22.7565
19 O2x O 28.9830 -22.6783
20 X Cl 29.1664 -25.4158
21 C1y C 33.7697 -25.4142
22 C1x C 34.9149 -24.7435
23 C1z C 28.5350 -19.4915
24 C2y C 28.9626 -18.2278
25 C2x C 27.8789 -17.4395
26 C2x C 26.8030 -18.2278
27 C2x C 27.2090 -19.4915
28 C2y C 32.6180 -19.2232
29 C1y C 33.7849 -18.5464
30 C1x C 34.9518 -19.2232
31 O7a O 33.7990 -17.1429
32 C8y C 29.1481 -13.0880
33 C8y C 29.1481 -14.4351
34 N4x N 30.3180 -15.1047
35 O2x O 30.3180 -12.4110
36 C8y C 31.4738 -13.0880
37 C8y C 31.4679 -14.4351
38 C8y C 32.6318 -15.1099
39 C8x C 33.8088 -14.4454
40 C8y C 33.8147 -13.0984
41 C8x C 32.6437 -12.4163
42 C2a C 27.9744 -12.4105
43 O5x O 27.9744 -15.1053
44 O2a O 34.9846 -12.4195
45 C1a C 36.1555 -13.1087
46 C7a C 32.6259 -16.4571
47 O6a O 31.4559 -17.1287
48 C2x C 32.6075 -20.5210
49 C0 C 31.3284 -18.8822
50 C0 C 30.1097 -18.5482
51 C0 C 31.4003 -20.8683
52 C0 C 30.1872 -20.8641
53 C1y C 28.9806 -20.8621
54 O7x O 34.9502 -20.5493
55 C7x C 34.9105 -23.4135
56 N1a N 33.7707 -26.7471
57 O6a O 36.3058 -23.4095
58 C1a C 19.7251 -20.2433
59 C1a C 20.9602 -22.2609
BOND 65
1 6 7 1
2 1 8 1
3 7 8 1
4 1 2 1
5 1 9 1
6 4 3 1
7 1 4 1
8 5 10 1
9 6 11 1
10 4 5 1
11 7 12 1
12 28 29 1
13 29 30 1
14 29 31 1 #Up
15 13 14 2
16 14 15 1
17 32 33 1
18 33 34 1
19 34 37 1
20 36 35 1
21 35 32 1
22 15 16 2
23 16 17 1
24 17 18 2
25 18 13 1
26 13 19 1
27 36 37 2
28 37 38 1
29 38 39 2
30 39 40 1
31 40 41 2
32 41 36 1
33 32 42 2
34 14 20 1
35 33 43 2
36 40 44 1
37 16 21 1
38 44 45 1
39 38 46 1
40 21 22 1
41 46 47 2
42 46 31 1
43 22 55 1
44 28 48 2
45 28 49 1
46 49 50 3
47 50 24 1
48 48 51 1
49 51 52 3
50 23 53 1
51 53 52 1
52 23 24 1
53 30 54 1
54 24 25 2
55 54 55 1
56 53 19 1 #Up
57 25 26 1
58 21 56 1 #Down
59 26 27 2
60 55 57 2
61 23 12 1 #Down
62 27 23 1
63 3 58 1
64 5 6 1
65 3 59 1
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