ATOM 45
1 C1x C 8.5400 -3.5700
2 N1y N 8.5400 -4.9700
3 C1y C 9.7524 -5.6700
4 C8y C 10.9649 -4.9700
5 C8y C 10.9649 -3.5700
6 C1x C 9.7524 -2.8700
7 C8y C 12.1773 -5.6700
8 C8y C 13.3897 -4.9700
9 C8y C 13.3897 -3.5700
10 C8x C 12.1773 -2.8700
11 O2a O 14.6022 -5.6700
12 C1a C 15.8146 -4.9700
13 C1a C 15.8146 -3.5700
14 O2a O 14.6022 -2.8700
15 C1a C 7.3276 -5.6700
16 C1x C 9.7524 -7.0698
17 C8y C 8.5232 -7.7797
18 C8x C 7.3192 -7.0846
19 C8x C 6.1068 -7.7846
20 C8y C 6.1069 -9.1846
21 C8y C 7.3108 -9.8797
22 C8x C 8.5232 -9.1797
23 O1a O 4.8883 -9.8883
24 O2x O 7.3106 -11.2697
25 C8y C 8.5000 -11.9567
26 C8x C 8.4999 -13.3697
27 C8x C 9.7123 -14.0697
28 C8y C 10.9248 -13.3698
29 C8x C 10.9249 -11.9568
30 C8x C 9.7125 -11.2568
31 C1x C 12.1337 -14.0678
32 C1y C 13.3273 -13.3786
33 N1y N 14.5155 -14.0646
34 C1x C 15.7280 -13.3646
35 C1x C 15.7280 -11.9646
36 C8y C 14.5398 -11.2786
37 C8y C 13.3274 -11.9786
38 C8x C 14.5399 -9.8786
39 C8y C 13.3275 -9.1786
40 C8y C 12.1150 -9.8785
41 C8x C 12.1150 -11.2785
42 C1a C 14.5156 -15.4698
43 O2a O 13.3277 -7.7703
44 C1a C 14.5194 -7.0822
45 O2x O 10.8951 -9.1742
BOND 51
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 1
14 13 14 1
15 9 14 1
16 2 15 1
17 3 16 1 #Up
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 20 23 1
26 21 24 1
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 28 31 1
35 32 31 1 #Up
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 32 37 1
42 36 38 2
43 38 39 1
44 39 40 2
45 40 41 1
46 37 41 2
47 33 42 1
48 39 43 1
49 43 44 1
50 40 45 1
51 45 7 1
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