ATOM 28
1 C1b C 26.6814 -19.1381
2 C2b C 27.8931 -19.8287
3 C2c C 27.8931 -21.2235
4 C1a C 29.0978 -21.9210
5 C1a C 26.6744 -21.9210
6 N4x N 24.2783 -17.7363
7 C8y C 24.2783 -14.9324
8 C8y C 25.4892 -15.6298
9 C8y C 25.4833 -17.0318
10 C8y C 26.6952 -17.7414
11 C8y C 27.9132 -17.0421
12 C8y C 27.9193 -15.6401
13 C8y C 26.7072 -14.9377
14 O5x O 24.2651 -13.5305
15 O1a O 29.1119 -17.7363
16 C8y C 23.0604 -17.0318
17 C8y C 23.0645 -15.6271
18 C8x C 21.8492 -14.9246
19 C8x C 20.6294 -15.6198
20 C8x C 20.6254 -17.0245
21 C8y C 21.8407 -17.7341
22 O1a O 21.8276 -19.1312
23 O1a O 26.7656 -13.5305
24 C1b C 29.1190 -14.9466
25 C2b C 30.3307 -15.6440
26 C2c C 31.5423 -14.9536
27 C1a C 32.7541 -15.6509
28 C1a C 31.5354 -13.5517
BOND 30
1 7 14 2
2 8 7 1
3 11 15 1
4 7 17 1
5 3 4 1
6 3 5 1
7 2 3 2
8 1 2 1
9 16 17 2
10 17 18 1
11 18 19 2
12 19 20 1
13 20 21 2
14 21 16 1
15 16 6 1
16 21 22 1
17 10 1 1
18 8 9 2
19 9 10 1
20 13 23 1
21 10 11 2
22 12 24 1
23 11 12 1
24 24 25 1
25 12 13 2
26 25 26 2
27 13 8 1
28 26 27 1
29 6 9 1
30 26 28 1
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