ATOM 37
1 C1y C 29.5276 -23.0555
2 C1z C 28.3332 -22.3680
3 C1z C 29.5216 -24.4419
4 C1x C 30.7393 -22.3737
5 O2a O 26.7661 -21.4357
6 C1x C 27.1273 -23.0555
7 C1a C 28.3332 -20.8414
8 C1x C 30.7276 -25.1469
9 C1x C 28.3332 -25.1410
10 C1a C 29.5102 -26.0733
11 C1y C 31.9336 -23.0669
12 C8y C 25.5660 -22.1291
13 C1x C 27.1273 -24.4419
14 C1x C 31.9278 -24.4535
15 C1d C 33.0231 -22.4320
16 C8y C 24.3658 -21.4357
17 C8x C 25.5660 -23.5157
18 C1a C 33.0172 -21.1620
19 C1a C 34.2815 -23.1312
20 O1a O 34.2115 -21.7270
21 C8y C 23.1715 -22.1408
22 O1a O 24.3541 -20.0492
23 C8y C 24.3658 -24.2089
24 C8x C 23.1657 -23.5214
25 O2a O 21.9714 -21.4474
26 C1b C 24.3658 -25.5955
27 C8y C 20.7655 -22.1465
28 C2b C 23.1715 -26.2946
29 C8x C 20.7655 -23.5447
30 C8x C 19.5595 -21.4474
31 C2a C 21.9655 -25.6012
32 C8x C 19.5595 -24.2322
33 C8x C 18.3419 -22.1465
34 C8y C 18.3419 -23.5447
35 C1b C 17.1418 -24.2322
36 C2b C 15.9416 -23.5447
37 C2a C 14.7429 -24.2381
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1 #Up
5 2 6 1
6 2 7 1 #Down
7 3 8 1
8 3 9 1
9 3 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 8 14 1
14 11 15 1 #Down
15 12 16 2
16 12 17 1
17 15 18 1
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 1
22 17 23 2
23 21 24 2
24 21 25 1
25 23 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 27 30 2
30 28 31 2
31 29 32 2
32 30 33 1
33 32 34 1
34 34 35 1
35 35 36 1
36 36 37 2
37 9 13 1
38 11 14 1
39 23 24 1
40 33 34 2
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