ATOM 42
1 C1z C 24.6708 -17.1876
2 O2x O 23.4879 -17.8751
3 C1x C 25.8662 -17.8627
4 O2x O 27.7200 -17.0538
5 C1z C 24.6708 -15.8250
6 C1z C 22.3174 -17.1876
7 C1y C 25.8723 -19.2376
8 C1y C 28.2073 -19.2191
9 C1x C 23.4879 -15.1499
10 C1a C 25.5564 -14.6978
11 C1a C 26.0087 -15.8250
12 C1y C 22.3174 -15.8250
13 C1x C 21.1345 -17.8627
14 O1a O 22.3174 -18.7477
15 C1y C 27.0429 -19.9065
16 O7x O 24.6132 -20.0136
17 C1c C 29.3778 -19.8817
18 C1a C 21.1530 -15.1499
19 C7x C 21.1097 -19.2252
20 C1a C 27.0553 -21.2505
21 C7x C 24.6647 -21.3001
22 C1b C 30.5422 -19.2004
23 C1a C 29.3902 -21.2320
24 O7x O 22.2926 -19.9128
25 O6a O 19.9392 -19.8880
26 C1x C 23.4694 -21.9874
27 O6a O 25.8228 -21.9813
28 C1b C 31.7127 -19.8632
29 C1y C 22.2863 -21.2877
30 C1c C 32.8710 -19.1819
31 C1c C 21.1158 -21.9504
32 C8y C 34.0476 -19.8445
33 O2a O 32.9347 -17.8316
34 C1a C 19.9577 -21.2629
35 O1a O 21.1345 -23.3190
36 C8x C 33.9900 -21.1948
37 C8x C 35.1996 -19.1695
38 C1a C 34.0928 -17.1504
39 C8y C 35.2244 -21.8637
40 C8x C 36.3764 -19.8260
41 C8x C 36.3888 -21.1700
42 O1a O 35.2368 -23.2138
BOND 45
1 1 2 1
2 1 3 1 #Up
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 7 16 1
16 8 17 1
17 12 18 1 #Up
18 13 19 1
19 15 20 1 #Down
20 16 21 1
21 17 22 1
22 17 23 1
23 19 24 1
24 19 25 2
25 21 26 1
26 21 27 2
27 22 28 1
28 24 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 30 33 1
33 31 34 1
34 31 35 1
35 32 36 1
36 32 37 2
37 33 38 1
38 36 39 2
39 37 40 1
40 39 41 1
41 39 42 1
42 8 15 1
43 9 12 1
44 26 29 1
45 40 41 2
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