ATOM 31
1 C8x C 21.4913 -16.7731
2 C8y C 21.4913 -18.1790
3 C8x C 22.7088 -18.8820
4 C8x C 23.9265 -18.1790
5 C8y C 23.9265 -16.7731
6 C8x C 22.7088 -16.0701
7 C1d C 20.2737 -18.8820
8 O2a O 25.1628 -16.0590
9 C1b C 26.3731 -16.7577
10 C1b C 27.5604 -16.0720
11 O2a O 28.7595 -16.7642
12 C1b C 29.9524 -16.0753
13 C1b C 31.1486 -16.7659
14 N1d N 32.3430 -16.0762 #+
15 C1b C 19.0561 -19.6552
16 C1a C 19.5766 -17.6742
17 C1a C 20.9821 -20.1093
18 C1d C 19.0560 -21.0610
19 C1a C 19.0560 -22.4669
20 C1a C 17.6249 -21.0609
21 C1a C 20.4368 -21.0610
22 C1b C 33.5384 -16.7664
23 C8y C 34.7333 -16.0764
24 C8x C 35.9285 -16.7665
25 C8x C 37.1460 -16.0636
26 C8x C 37.1461 -14.6576
27 C8x C 35.9509 -13.9675
28 C8x C 34.7333 -14.6705
29 C1a C 32.3431 -14.6644
30 C1a C 32.3430 -17.4822
31 X Cl 32.1764 -19.3740 #-
BOND 31
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 7 15 1
16 7 16 1
17 7 17 1
18 15 18 1
19 18 19 1
20 18 20 1
21 18 21 1
22 14 22 1
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 23 28 1
30 14 29 1
31 14 30 1
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