ATOM 29
1 C8x C 20.4617 -18.0964
2 C8x C 21.6828 -17.3896
3 C8x C 20.4617 -19.4987
4 C8y C 22.8923 -18.0907
5 C8x C 21.6828 -20.1998
6 C8y C 22.8982 -19.4987
7 S2x S 24.2303 -17.6466
8 N5y N 24.2420 -19.9252 #+
9 C8y C 25.0627 -18.7788
10 C1b C 24.6840 -21.2513
11 C1a C 26.0534 -21.5317
12 C2b C 26.4541 -18.7762
13 C2b C 27.1505 -17.5675
14 C2b C 28.5454 -17.5697
15 C2b C 29.2418 -16.3609
16 C8y C 30.6397 -16.3596
17 C8x C 31.3326 -17.5665
18 C8x C 32.7305 -17.5653
19 C8y C 33.4282 -16.3540
20 C8x C 32.7283 -15.1440
21 C8x C 31.3304 -15.1454
22 N1c N 34.8260 -16.3528
23 C1a C 35.5261 -17.5627
24 C1a C 35.5239 -15.1415
25 X Cl 30.8130 -22.6429
26 O0 O 30.8059 -21.2451
27 O0 O 29.4151 -22.6429
28 O0 O 30.8059 -24.0407
29 O1a O 32.2108 -22.6429 #-
BOND 30
1 2 4 1
2 13 14 1
3 3 5 2
4 14 15 2
5 4 6 2
6 15 16 1
7 4 7 1
8 6 8 1
9 7 9 1
10 5 6 1
11 8 9 2
12 16 17 2
13 17 18 1
14 18 19 2
15 19 20 1
16 20 21 2
17 21 16 1
18 19 22 1
19 8 10 1
20 22 23 1
21 22 24 1
22 10 11 1
23 1 2 2
24 9 12 1
25 1 3 1
26 12 13 2
27 25 26 2
28 25 27 2
29 25 28 2
30 25 29 1
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