ATOM 28
1 C1z C 26.4700 -18.8847
2 N2y N 27.5667 -18.0210 #+
3 C1x C 28.9321 -18.3324
4 C2y C 29.5340 -19.5856
5 C1y C 26.4700 -20.2937
6 C1y C 28.9330 -20.8529
7 C1x C 27.5667 -21.1645
8 C1x C 27.0842 -16.7111
9 C1x C 25.6892 -16.6952
10 C1z C 25.3097 -18.1086
11 C8y C 24.0973 -18.8086
12 C8y C 24.0973 -20.2086
13 N1x N 25.4497 -20.7686
14 C8x C 22.8849 -18.1086
15 C8x C 21.6724 -18.8086
16 C8x C 21.6724 -20.2086
17 C8x C 22.8849 -20.9086
18 C1z C 24.9474 -16.7563
19 C7a C 25.6214 -15.5184
20 O7a O 27.0214 -15.5201
21 C1a C 27.7229 -14.3085
22 C1b C 23.5272 -16.7278
23 O1a O 22.8346 -15.3706
24 O6a O 24.9161 -14.3298
25 C2b C 30.9340 -19.5856
26 O1a O 26.4700 -21.6937
27 C1a C 29.1991 -17.1110
28 C1a C 31.6418 -20.8114
BOND 32
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 1 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 1 13 1 #Down
16 11 14 2
17 14 15 1
18 15 16 2
19 16 17 1
20 12 17 2
21 10 18 1 #Up
22 18 19 1
23 19 20 1
24 20 21 1
25 18 22 1
26 22 23 1
27 19 24 2
28 4 25 2
29 5 26 1 #Down
30 2 27 1 #Down
31 6 18 1 #Up
32 25 28 1
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