ATOM 42
1 C7a C 24.9443 -16.8646
2 O6a O 24.9443 -15.4526
3 C1a C 23.7201 -17.5712
4 O7a O 26.1503 -17.5385
5 C7a C 23.8445 -19.9369
6 O7a O 25.0437 -20.6287
7 O6a O 23.8445 -18.5532
8 C1a C 22.6415 -20.6294
9 O2a O 31.0566 -19.7924
10 C1y C 29.8574 -20.6621
11 O2x O 28.6575 -19.9486
12 C1y C 29.9194 -22.0602
13 C1y C 27.4450 -20.6482
14 C1y C 28.6419 -22.7446
15 O7a O 31.0453 -22.7476
16 C1y C 27.4444 -22.0463
17 C1b C 26.2545 -19.9566
18 O7a O 28.6392 -24.1317
19 O7a O 26.2389 -22.7317
20 C7a C 32.2516 -23.4299
21 O6a O 32.2537 -24.8172
22 C1a C 33.4509 -22.7374
23 C7a C 28.6433 -25.5134
24 O6a O 27.4408 -26.2030
25 C1a C 29.8349 -26.2025
26 C7a C 25.0379 -23.4145
27 O6a O 23.8502 -22.7193
28 C1a C 25.0351 -24.8003
29 C1y C 31.0444 -17.8190
30 C1y C 29.8505 -17.1190
31 C1y C 29.8505 -15.7379
32 C2y C 28.5384 -17.5385
33 C2y C 31.0444 -15.0509
34 C1x C 28.5384 -15.3115
35 O2x O 32.2457 -17.1249
36 C2x C 27.7416 -16.4263
37 C1b C 27.3514 -18.2314
38 C2x C 32.2457 -15.7379
39 C7a C 31.0444 -13.6643
40 O7a O 32.2398 -12.9747
41 O6a O 29.8505 -12.9701
42 C1a C 33.4339 -13.6700
BOND 44
1 1 3 1
2 1 4 1
3 1 2 2
4 12 15 1 #Down
5 23 25 1
6 13 16 1
7 13 17 1 #Up
8 26 19 1
9 26 27 2
10 14 18 1 #Up
11 26 28 1
12 16 19 1 #Down
13 29 9 1 #Up
14 14 16 1
15 17 6 1
16 10 9 1 #Up
17 10 11 1
18 10 12 1
19 11 13 1
20 5 8 1
21 5 6 1
22 20 15 1
23 20 21 2
24 5 7 2
25 20 22 1
26 12 14 1
27 23 18 1
28 23 24 2
29 30 31 1
30 30 29 1
31 30 32 1
32 31 33 1
33 31 34 1
34 29 35 1
35 32 36 2
36 32 37 1
37 33 38 2
38 33 39 1
39 37 4 1
40 39 40 1
41 39 41 2
42 40 42 1
43 34 36 1
44 35 38 1
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