ATOM 42
1 C2x C 26.7220 -16.6750
2 C2x C 28.1231 -16.6750
3 C1y C 29.1158 -17.6605
4 C2y C 29.1158 -19.0616
5 C1y C 28.1231 -20.0543
6 C1x C 26.7220 -20.0543
7 C1y C 25.7363 -19.0616
8 C1z C 25.7363 -17.6605
9 C2x C 30.3282 -19.7616
10 C1y C 31.5406 -19.0616
11 C1z C 31.5406 -17.6605
12 C1y C 30.3282 -16.9605
13 C1y C 32.8732 -19.4946
14 C1y C 33.6968 -18.3611
15 C1x C 32.8732 -17.2275
16 O7a O 23.8476 -19.8800
17 C7a C 22.6351 -19.1800
18 C1a C 21.4227 -19.8800
19 C1a C 24.8963 -16.5881
20 C1a C 24.6863 -18.0805
21 O6a O 22.6351 -17.9202
22 O7a O 28.8400 -21.2324
23 C7a C 28.1400 -22.4449
24 C1a C 28.8400 -23.6573
25 O6a O 26.7402 -22.4449
26 O7a O 30.3285 -15.5401
27 C7a C 31.5272 -14.8482
28 O6a O 32.7155 -15.5347
29 C1a C 31.5275 -13.4403
30 O1a O 31.5489 -16.5251
31 C1a C 35.0698 -18.3607
32 O7a O 33.2987 -20.8020
33 C7a C 34.6860 -21.0965
34 O6a O 35.6507 -20.0242
35 C8y C 35.1148 -22.4132
36 C8x C 34.1967 -23.4345
37 C8x C 34.6304 -24.7656
38 C8x C 36.0001 -25.0556
39 C8x C 36.9182 -24.0342
40 C8x C 36.4845 -22.7031
41 C1a C 29.1158 -15.9805
42 C1a C 29.6758 -20.4140
BOND 44
1 1 2 2
2 2 3 1
3 4 5 1
4 5 6 1
5 6 7 1
6 7 8 1
7 8 1 1
8 4 9 2
9 9 10 1
10 10 11 1
11 11 12 1
12 3 12 1
13 10 13 1
14 13 14 1
15 14 15 1
16 11 15 1
17 7 16 1
18 16 17 1
19 17 18 1
20 8 19 1
21 8 20 1
22 17 21 2
23 5 22 1
24 22 23 1
25 23 24 1
26 23 25 2
27 12 26 1
28 26 27 1
29 27 28 2
30 27 29 1
31 11 30 1
32 14 31 1
33 13 32 1
34 32 33 1
35 33 34 2
36 33 35 1
37 35 36 2
38 36 37 1
39 37 38 2
40 38 39 1
41 39 40 2
42 35 40 1
43 3 41 1
44 4 42 1
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