ATOM 43
1 C8y C 13.9293 -15.1284
2 C8y C 13.9293 -16.5354
3 C8x C 15.1253 -17.1685
4 C8y C 16.3213 -16.5354
5 C8y C 16.3213 -15.1284
6 C8x C 15.1253 -14.4249
7 N4x N 17.6579 -16.9575
8 C8y C 18.5022 -15.8319
9 C8y C 17.6579 -14.7063
10 C1z C 19.7685 -15.4098
11 C1y C 19.7685 -14.0028
12 C1x C 18.5022 -13.5807
13 C1z C 21.0347 -16.0429
14 C1z C 22.2307 -15.4098
15 C1x C 22.2307 -14.0028
16 C1x C 21.0347 -13.2993
17 C1x C 21.0347 -17.4500
18 C1x C 22.2307 -18.1534
19 C1y C 23.4266 -17.4500
20 C2y C 23.4266 -16.0429
21 O2x O 24.6226 -18.1534
22 C1y C 25.8186 -17.4500
23 C1y C 25.8186 -16.0429
24 C2x C 24.6226 -15.4098
25 C1a C 19.7688 -16.8168
26 O1a O 23.4266 -14.7063
27 C2c C 27.0849 -18.1534
28 C1a C 20.4720 -14.5656
29 C1y C 12.5912 -14.6936
30 C1y C 11.7642 -15.8319
31 C2y C 12.5912 -16.9702
32 C1z C 10.3649 -15.9789
33 O2x O 9.7925 -17.2643
34 C1z C 10.6197 -18.4027
35 C2x C 12.0189 -18.2555
36 C1a C 9.0059 -15.6148
37 C1a C 10.0008 -14.6199
38 C1a C 10.6197 -19.8096
39 C1a C 9.6248 -19.3974
40 O1a O 12.5912 -13.2867
41 O1a O 27.0240 -15.3173
42 C2a C 27.0849 -19.5605
43 C1a C 28.3033 -17.4500
BOND 50
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 2
30 10 25 1 #Down
31 14 26 1 #Down
32 22 27 1 #Up
33 13 28 1 #Up
34 1 29 1
35 29 30 1
36 30 31 1
37 2 31 1
38 30 32 1
39 32 33 1
40 33 34 1
41 34 35 1
42 31 35 2
43 32 36 1
44 32 37 1
45 34 38 1
46 34 39 1
47 29 40 1 #Down
48 23 41 1 #Up
49 27 42 2
50 27 43 1
|