ATOM 29
1 C8y C 16.6272 -15.2821
2 C8y C 16.6691 -16.6094
3 C8x C 14.3278 -15.3404
4 C8x C 14.3738 -16.6677
5 C8x C 15.5397 -17.2913
6 C8x C 15.4617 -14.6441
7 C1z C 19.9836 -15.7771
8 C1y C 20.5120 -14.5648
9 C1x C 19.7289 -13.4979
10 C1x C 18.4177 -13.6469
11 N1y N 17.4253 -12.7621
12 C1x C 16.2765 -13.4289
13 C1x C 16.5618 -14.7302
14 C1x C 18.2323 -11.7135
15 C2y C 21.3185 -13.5162
16 C7a C 20.7751 -16.8368
17 O7a O 22.0813 -16.6856
18 O6a O 20.3825 -18.0502
19 C1a C 22.8748 -17.7505
20 C8y C 18.6720 -15.9293
21 C8y C 17.8812 -14.8604
22 C2b C 22.5278 -14.2098
23 C1a C 22.5278 -15.6011
24 N4x N 17.9941 -16.9038
25 C1b C 19.3141 -16.9148
26 O7a O 19.3071 -18.2285
27 C7a C 19.3071 -19.6285
28 C1a C 18.1166 -20.3154
29 O6a O 20.5165 -20.3269
BOND 32
1 12 13 1
2 21 13 1
3 11 14 1
4 1 2 2
5 8 15 1
6 14 15 1
7 3 4 1
8 7 16 1
9 20 7 1
10 16 17 1
11 7 8 1
12 16 18 2
13 8 9 1
14 17 19 1
15 9 10 1
16 4 5 2
17 5 2 1
18 20 21 2
19 21 1 1
20 2 24 1
21 24 20 1
22 1 6 1
23 15 22 2
24 6 3 2
25 22 23 1
26 10 11 1
27 7 25 1 #Up
28 11 12 1
29 25 26 1
30 26 27 1
31 27 28 1
32 27 29 2
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