ATOM 42
1 C1a C 23.7076 -19.1948
2 C1y C 26.5465 -18.1321
3 C5x C 27.7115 -17.4542
4 N1x N 28.8766 -18.1250
5 C1y C 30.0486 -17.4471
6 C1c C 31.2137 -18.1178
7 C1b C 32.3787 -17.4400
8 C1a C 33.5438 -18.1109
9 C8x C 26.0464 -13.2070
10 C8y C 26.0464 -14.5627
11 C8x C 27.2177 -15.2336
12 C8x C 28.3819 -14.5627
13 C8y C 28.3819 -13.2070
14 C8x C 27.2177 -12.5362
15 C2x C 29.5509 -12.5371
16 O2x O 24.8713 -15.2341
17 C1y C 24.8720 -17.1689
18 C2x C 31.2270 -13.5054
19 N1x N 31.2243 -15.4371
20 C5x C 30.0455 -16.0985
21 O5x O 27.7085 -16.1056
22 O5x O 28.8742 -15.4136
23 C1a C 31.2167 -19.4666
24 N1b N 26.5475 -19.4807
25 C1c C 23.6997 -17.8438
26 C1a C 22.5304 -17.1744
27 C5a C 27.7164 -20.1577
28 C1c C 27.7176 -21.5063
29 O5a O 28.8844 -19.4788
30 N1c N 26.5497 -22.1780
31 C1b C 28.8864 -22.1761
32 C8y C 28.8876 -23.5318
33 C1a C 25.3807 -21.5081
34 C1a C 26.5507 -23.5337
35 C8x C 27.8010 -24.3293
36 N4x N 28.2199 -25.6093
37 C8y C 29.9854 -24.3276
38 C8y C 29.5633 -25.6040
39 C8x C 30.4650 -26.6095
40 C8x C 31.7820 -26.3387
41 C8x C 32.2042 -25.0551
42 C8x C 31.3024 -24.0496
BOND 45
1 9 10 1
2 20 22 2
3 10 11 2
4 6 23 1 #Down
5 11 12 1
6 2 24 1 #Up
7 12 13 2
8 17 25 1 #Down
9 13 14 1
10 25 26 1
11 25 1 1
12 14 9 2
13 7 8 1
14 24 27 1
15 13 15 1
16 27 28 1
17 4 5 1
18 27 29 2
19 10 16 1
20 28 30 1 #Down
21 28 31 1
22 16 17 1
23 31 32 1
24 5 6 1
25 30 33 1
26 15 18 2
27 30 34 1
28 17 2 1
29 3 4 1
30 32 35 2
31 35 36 1
32 36 38 1
33 37 32 1
34 18 19 1
35 6 7 1
36 5 20 1
37 20 19 1
38 2 3 1
39 3 21 2
40 37 38 2
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 42 37 1
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