ATOM 25
1 C1z C 29.1866 -17.0851
2 C1y C 29.9192 -16.1044
3 C1x C 30.1682 -17.8686
4 C1y C 31.0573 -16.8327
5 C1y C 31.8659 -15.9770
6 C1x C 32.9167 -16.7790
7 C1b C 32.2656 -14.6275
8 C8y C 26.1109 -16.3696
9 N4x N 27.2615 -17.9903
10 C8y C 26.1123 -17.5879
11 C8x C 25.0501 -15.7611
12 C8x C 25.0501 -18.2104
13 C8x C 23.9983 -16.3696
14 C8x C 23.9983 -17.5879
15 C8y C 27.9726 -17.0039
16 C8y C 27.2827 -16.0134
17 C1x C 27.6211 -14.8379
18 C1x C 28.7460 -14.3774
19 N1y N 29.8063 -14.9638
20 C1x C 30.6818 -13.3214
21 C7a C 28.8347 -18.3764
22 O7a O 29.7863 -19.3211
23 C1a C 29.4269 -20.6255
24 O6a O 28.0203 -19.4219
25 C1a C 33.6381 -14.3055
BOND 29
1 3 4 1
2 5 6 1
3 1 2 1
4 1 3 1
5 2 5 1
6 16 8 1
7 15 9 1
8 8 10 2
9 8 11 1
10 10 12 1
11 11 13 2
12 12 14 2
13 9 10 1
14 13 14 1
15 15 16 2
16 16 17 1
17 15 1 1
18 17 18 1
19 18 19 1
20 2 19 1
21 19 20 1 #Up
22 1 21 1 #Down
23 21 22 1
24 22 23 1
25 21 24 2
26 4 20 1 #Up
27 4 6 1
28 7 25 1
29 5 7 1 #Up
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