ATOM 27
1 C1z C 26.6401 -17.7486
2 O7x O 25.3606 -17.1796
3 C7x C 24.4240 -18.2207
4 C2x C 26.6401 -16.3482
5 C5x C 27.8557 -18.4487
6 C2x C 27.8557 -15.6481
7 C8y C 29.0642 -16.3482
8 C8y C 29.0583 -17.7486
9 C8x C 30.2680 -18.4538
10 C8x C 30.2799 -15.6532
11 C8y C 31.4895 -16.3586
12 C8y C 31.4870 -17.7630
13 O2x O 32.8220 -18.1995
14 C1x C 33.6494 -17.0649
15 O2x O 32.8260 -15.9270
16 C8y C 26.4945 -19.1412
17 C8y C 25.1250 -19.4269
18 C8y C 24.6878 -20.7555
19 C8y C 25.6198 -21.7987
20 C8x C 26.9892 -21.5131
21 C8x C 27.4266 -20.1842
22 O6a O 23.0312 -18.0768
23 O5x O 28.5425 -19.6581
24 O2a O 23.3170 -21.0415
25 O2a O 25.1821 -23.1288
26 C1a C 23.8113 -23.4148
27 C1a C 22.1040 -19.9975
BOND 31
1 1 5 1
2 5 8 1
3 7 6 1
4 11 12 2
5 12 13 1
6 13 14 1
7 14 15 1
8 15 11 1
9 6 4 2
10 3 17 1
11 16 1 1
12 1 2 1 #Up
13 7 8 1
14 16 17 2
15 17 18 1
16 18 19 2
17 19 20 1
18 20 21 2
19 21 16 1
20 8 9 2
21 3 22 2
22 9 12 1
23 5 23 2
24 11 10 1
25 18 24 1
26 10 7 2
27 19 25 1
28 2 3 1
29 25 26 1
30 4 1 1
31 24 27 1
|