ATOM 40
1 C1y C 22.1331 -20.1729
2 C1y C 22.1304 -21.5495
3 O2x O 20.9384 -19.4799
4 C1y C 20.9381 -22.2355
5 O1a O 23.3251 -22.2426
6 C1y C 19.7412 -20.1630
7 C1y C 19.7407 -21.5473
8 O2a O 20.9296 -23.6218
9 C1a C 18.5487 -19.4778
10 O1a O 18.5404 -22.2355
11 C1a C 19.7373 -24.3080
12 C1z C 30.5082 -16.7440
13 C1y C 29.3195 -17.4260
14 C1z C 30.5257 -15.3687
15 C1x C 32.8917 -16.7033
16 O1a O 30.4966 -18.1194
17 C1y C 28.1365 -16.7266
18 C1x C 29.3195 -18.8013
19 C1y C 31.7203 -14.6986
20 C1y C 29.3428 -14.6753
21 C1a C 30.5199 -13.9933
22 C1x C 32.9093 -15.3979
23 C1z C 26.9301 -17.4143
24 C5x C 28.1481 -15.3513
25 C1x C 28.1248 -19.4890
26 C2y C 31.7379 -13.3232
27 O1a O 29.3369 -13.2882
28 C1y C 26.9242 -18.7954
29 C1x C 25.7412 -16.7207
30 C1a C 26.9184 -16.0330
31 O5x O 26.9534 -14.6519
32 C2x C 33.1133 -13.3232
33 C1x C 31.3183 -12.0178
34 C1x C 25.7412 -19.4831
35 C1x C 24.5465 -17.4143
36 C7x C 33.5387 -12.0178
37 O7x O 32.4256 -11.2078
38 C1y C 24.5465 -18.7954
39 O6a O 34.8500 -11.5923
40 O2a O 23.3460 -19.4831
BOND 45
1 7 10 1 #Up
2 8 11 1
3 6 7 1
4 1 2 1
5 1 3 1
6 2 4 1
7 2 5 1 #Down
8 3 6 1
9 4 7 1
10 4 8 1 #Up
11 12 13 1
12 12 14 1
13 12 15 1
14 12 16 1 #Up
15 13 17 1
16 13 18 1
17 14 19 1
18 14 20 1
19 14 21 1 #Up
20 15 22 1
21 17 23 1
22 17 24 1
23 18 25 1
24 19 26 1
25 20 27 1 #Up
26 23 28 1
27 23 29 1
28 23 30 1 #Up
29 24 31 2
30 26 32 2
31 26 33 1
32 28 34 1
33 29 35 1
34 32 36 1
35 33 37 1
36 34 38 1
37 36 39 2
38 38 40 1 #Up
39 19 22 1
40 20 24 1
41 25 28 1
42 35 38 1
43 36 37 1
44 1 40 1 #Up
45 6 9 1 #Up
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