ATOM 31
1 C2x C 21.8333 -15.2720
2 C2x C 23.0327 -14.4675
3 C1y C 24.3261 -14.9379
4 O2x O 21.7052 -16.6672
5 C2x C 22.7446 -17.6068
6 C2y C 30.8210 -17.3093
7 C2x C 32.2221 -17.3093
8 O2x O 33.0627 -18.3601
9 C2x C 32.7825 -19.7612
10 C1y C 29.9102 -18.4302
11 C2x C 31.5215 -20.3917
12 C1y C 30.3306 -19.7612
13 C1x C 29.9803 -16.2585
14 C1z C 28.6492 -16.6788
15 N1y N 28.6493 -18.0799
16 C5x C 27.3883 -16.0483
17 N1y N 26.2674 -16.6788
18 C1z C 26.2674 -18.1500
19 C5x C 27.4583 -18.7805
20 C1y C 24.8663 -16.2585
21 C2y C 24.0957 -17.4494
22 C1x C 25.0064 -18.5703
23 O5x O 27.3883 -14.6472
24 O5x O 27.4583 -20.1816
25 S3x S 27.1781 -16.8890
26 S3x S 27.7386 -18.0099
27 O7a O 29.1396 -20.4618
28 C7a C 29.1396 -21.8629
29 C1a C 27.8786 -22.5634
30 O6a O 30.3306 -22.5634
31 O1a O 25.2925 -13.9326
BOND 36
1 1 4 1
2 2 3 1
3 4 5 1
4 1 2 2
5 8 9 1
6 6 10 1
7 9 11 2
8 7 8 1
9 10 12 1
10 6 7 2
11 11 12 1
12 6 13 1
13 13 14 1
14 14 15 1
15 15 10 1
16 14 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 15 19 1
21 17 20 1
22 18 22 1
23 21 22 1
24 16 23 2
25 19 24 2
26 18 25 1
27 14 26 1
28 25 26 1
29 12 27 1
30 27 28 1
31 28 29 1
32 28 30 2
33 21 20 1
34 3 20 1
35 5 21 2
36 3 31 1
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