ATOM 36
1 C1y C 25.9007 -16.7351
2 C8y C 24.6810 -16.0408
3 N1y N 27.1147 -16.0524
4 C1x C 25.8833 -18.1358
5 C8y C 24.6869 -14.6401
6 C8x C 23.4789 -16.7411
7 C5x C 28.3111 -16.7585
8 C1x C 27.1205 -14.6518
9 C1y C 27.0971 -18.8420
10 C1x C 25.9067 -13.9398
11 C8x C 23.4789 -13.9340
12 C8y C 22.2592 -16.0408
13 C2y C 28.2994 -18.1591
14 O5x O 29.5191 -16.0465
15 C1y C 27.0797 -20.2368
16 C8y C 22.2592 -14.6401
17 O1a O 21.0454 -16.7411
18 C2x C 29.5015 -18.8652
19 C1y C 28.2701 -20.9371
20 C2b C 25.8542 -20.9195
21 O2a O 21.0454 -13.9340
22 O2x O 29.4841 -20.2601
23 O2a O 28.2584 -22.3377
24 C2a C 25.8483 -22.3260
25 C1a C 19.8314 -14.6342
26 C1y C 29.4724 -23.0438
27 O2x O 29.4724 -24.4444
28 C1y C 30.6862 -22.3435
29 C1y C 30.6862 -25.1448
30 C1y C 31.9002 -23.0497
31 O1a O 30.6805 -20.9371
32 C1y C 31.9002 -24.4504
33 C1b C 30.6688 -26.5395
34 O1a O 33.1140 -22.3318
35 O1a O 33.1023 -25.1448
36 O1a O 31.8826 -27.2457
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 2
14 9 15 1
15 11 16 2
16 12 17 1
17 13 18 2
18 15 19 1
19 15 20 1 #Down
20 16 21 1
21 18 22 1
22 19 23 1 #Up
23 20 24 2
24 21 25 1
25 26 23 1 #Up
26 26 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 28 31 1 #Down
31 29 32 1
32 29 33 1 #Up
33 30 34 1 #Up
34 32 35 1 #Down
35 33 36 1
36 8 10 1
37 9 13 1
38 12 16 1
39 19 22 1
40 30 32 1
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