ATOM 41
1 C5a C 29.9692 -15.3929
2 C8y C 31.1765 -16.0979
3 O5a O 29.9692 -13.9957
4 C8x C 31.1822 -17.5007
5 C8x C 32.3848 -15.3987
6 C8y C 32.3905 -18.1987
7 C8x C 33.5978 -16.0921
8 C8y C 33.6037 -17.4950
9 C1b C 32.3905 -19.5946
10 O1a O 34.8108 -18.1802
11 C2b C 33.6037 -20.2997
12 C2c C 33.6037 -21.6970
13 C1a C 34.8108 -22.3949
14 C1a C 32.3905 -22.3949
15 N1b N 28.7413 -16.1028
16 C8y C 24.9431 -14.1174
17 C8y C 24.9431 -15.4968
18 C8y C 23.7523 -13.4405
19 O7x O 26.1397 -13.4231
20 C8y C 26.1457 -16.1934
21 C8x C 23.7523 -16.1992
22 C8y C 22.5677 -14.1174
23 X Cl 23.7466 -12.0784
24 C8y C 27.3420 -14.1058
25 C8y C 27.3536 -15.5025
26 O1a O 26.1457 -17.5613
27 C8x C 22.5677 -15.4968
28 O2a O 21.3955 -13.4464
29 O6a O 28.5281 -13.4288
30 C1y C 20.2095 -14.1232
31 C1y C 20.2095 -15.5025
32 O2x O 19.0059 -13.4464
33 C1y C 19.0059 -16.2051
34 O1a O 21.2817 -16.4692
35 C1z C 17.8341 -14.1232
36 C1y C 17.8341 -15.5025
37 O1a O 19.0059 -17.5730
38 C1a C 17.0207 -12.7018
39 C1a C 16.4183 -14.4004
40 O2a O 16.6489 -16.1877
41 C1a C 15.2667 -16.1794
BOND 44
1 11 12 2
2 12 13 1
3 12 14 1
4 7 8 2
5 1 15 1
6 1 2 1
7 1 3 2
8 2 4 1
9 2 5 2
10 4 6 2
11 5 7 1
12 6 8 1
13 6 9 1
14 8 10 1
15 9 11 1
16 16 17 2
17 16 18 1
18 16 19 1
19 17 20 1
20 17 21 1
21 18 22 2
22 18 23 1
23 19 24 1
24 20 25 2
25 20 26 1
26 21 27 2
27 22 28 1
28 24 29 2
29 25 15 1
30 30 28 1 #Up
31 30 31 1
32 30 32 1
33 31 33 1
34 31 34 1 #Down
35 32 35 1
36 33 36 1
37 33 37 1 #Down
38 35 38 1
39 35 39 1
40 36 40 1 #Up
41 22 27 1
42 24 25 1
43 35 36 1
44 40 41 1
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