ATOM 39
1 C7a C 19.4701 -13.0027
2 O7a O 20.8655 -12.3102
3 C2c C 18.2723 -12.3102
4 O6a O 19.4701 -14.3806
5 C1a C 17.0817 -13.0027
6 C2b C 18.2723 -10.9321
7 C1a C 19.4701 -10.2464
8 C7a C 24.4179 -10.5505
9 C1a C 25.6153 -9.8649
10 O6a O 23.2270 -9.8649
11 O7a O 27.4454 -18.7372
12 C1y C 22.0333 -13.1533
13 C1z C 24.4867 -13.2274
14 C1a C 25.6841 -12.5349
15 C1y C 22.9424 -15.2029
16 C1y C 23.8411 -16.2902
17 C1y C 23.2426 -13.8419
18 C2y C 21.5643 -15.3375
19 C1y C 25.2251 -16.2701
20 O7x O 23.4251 -17.6191
21 C2x C 21.0095 -14.0763
22 C1a C 20.8742 -16.5460
23 C1z C 25.6904 -17.5789
24 C1y C 26.0790 -15.1679
25 C7x C 24.5689 -18.4185
26 C1x C 25.7509 -13.8033
27 O6a O 24.5891 -19.8023
28 O7a O 24.4650 -11.8495
29 O7a O 27.4547 -15.5658
30 C7a C 28.7028 -14.6705
31 C1c C 29.8936 -15.3560
32 C1b C 31.0913 -14.6705
33 C1a C 32.2818 -15.3560
34 C1a C 29.8936 -16.7341
35 O6a O 28.7028 -13.2924
36 C1a C 25.6821 -18.9037
37 C7a C 27.4678 -20.1292
38 C1a C 28.6836 -20.8024
39 O6a O 26.2744 -20.8411
BOND 41
1 15 16 1
2 15 17 1
3 15 18 1
4 16 19 1
5 16 20 1
6 17 12 1
7 17 13 1
8 18 21 2
9 18 22 1
10 19 23 1
11 19 24 1
12 20 25 1
13 13 26 1
14 25 27 2
15 12 21 1
16 23 25 1
17 24 26 1
18 1 3 1
19 3 6 2
20 13 28 1 #Up
21 1 2 1
22 12 2 1 #Up
23 23 11 1 #Down
24 28 8 1
25 24 29 1 #Down
26 6 7 1
27 29 30 1
28 1 4 2
29 30 31 1
30 31 32 1
31 32 33 1
32 8 9 1
33 31 34 1
34 3 5 1
35 30 35 2
36 23 36 1 #Up
37 11 37 1
38 13 14 1 #Down
39 37 38 1
40 8 10 2
41 37 39 2
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