ATOM 28
1 C8x C 19.6306 -17.6855
2 C8x C 19.6306 -19.0886
3 C8x C 20.8457 -19.7902
4 C8y C 22.0609 -19.0886
5 C8y C 22.0609 -17.6855
6 C8x C 20.8457 -16.9839
7 C8x C 23.2760 -19.7902
8 C8x C 24.4911 -19.0886
9 C8y C 24.4911 -17.6855
10 N4y N 23.2760 -16.9839
11 C1b C 23.2760 -15.5808
12 C1a C 24.4933 -14.8780
13 C2b C 25.6914 -16.9924
14 C2b C 26.8824 -17.6800
15 C2b C 28.0759 -16.9908
16 C8y C 29.2681 -17.6792
17 C8x C 29.2683 -19.0884
18 C8x C 30.4834 -19.7899
19 C8y C 31.6986 -19.0882
20 C8y C 31.6985 -17.6790
21 N5y N 30.4832 -16.9775 #+
22 C8x C 32.9138 -19.7897
23 C8x C 34.1289 -19.0880
24 C8x C 34.1288 -17.6788
25 C8x C 32.9136 -16.9773
26 C1b C 30.4824 -15.6104
27 C1a C 29.2453 -14.8968
28 X Cl 32.1193 -15.3139 #-
BOND 30
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1
13 11 12 1
14 9 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 2
24 19 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 20 25 2
29 21 26 1
30 26 27 1
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