ATOM 39
1 C1x C 32.3203 -21.7830
2 C1x C 33.5072 -21.0646
3 C1z C 33.4901 -19.6967
4 C2y C 32.2860 -19.0469
5 C1y C 31.0992 -19.7653
6 C1x C 31.1163 -21.1333
7 C2x C 32.2330 -17.6195
8 C1x C 31.0289 -16.9699
9 C1y C 29.8420 -17.6882
10 C1z C 29.8592 -19.0563
11 C1a C 29.3871 -16.0093
12 C1b C 28.3261 -19.7491
13 C1b C 26.8450 -19.0993
14 C2c C 26.8279 -17.7313
15 C2b C 25.6238 -17.0817
16 C1b C 25.6066 -15.7136
17 C1a C 28.8752 -18.4483
18 C1a C 27.9554 -17.0489
19 C1a C 34.9174 -19.6435
20 C1a C 34.1991 -18.4567
21 N4y N 20.5668 -13.2614
22 C8y C 21.6197 -13.9905
23 C1y C 19.2879 -13.6724
24 C8x C 21.0354 -11.8786
25 C8y C 22.8406 -13.0936
26 N5x N 21.7527 -15.3965
27 O2x O 18.1596 -12.8334
28 C1y C 18.8656 -14.9106
29 N5x N 22.4703 -11.8843
30 C8y C 24.0789 -13.6376
31 C8x C 23.0606 -15.9809
32 C1y C 17.0718 -13.6145
33 C1y C 17.4942 -14.9106
34 O1a O 19.2705 -16.2298
35 N5y N 24.2408 -15.1072 #+
36 N1a N 25.1724 -12.8275
37 C1b C 15.7815 -13.2094
38 O1a O 17.0544 -16.2241
39 O1a O 14.6823 -14.0368
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Up
13 10 12 1
14 12 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 10 17 1 #Up
19 14 18 1
20 3 19 1
21 3 20 1
22 21 22 1
23 23 21 1 #Up
24 21 24 1
25 22 25 2
26 22 26 1
27 23 27 1
28 23 28 1
29 24 29 2
30 25 30 1
31 26 31 2
32 27 32 1
33 28 33 1
34 28 34 1 #Down
35 30 35 2
36 30 36 1
37 32 37 1 #Up
38 33 38 1 #Down
39 37 39 1
40 25 29 1
41 31 35 1
42 32 33 1
43 16 35 1
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