ATOM 45
1 C1z C 28.1001 -20.5017
2 C1z C 27.3477 -19.4231
3 C1y C 27.4763 -21.6571
4 C8y C 29.4998 -20.1464
5 C1x C 29.7219 -21.2598
6 C2y C 26.2166 -19.3765
7 N1y N 28.2169 -18.2864
8 N2y N 28.1001 -22.5782 #+
9 C1x C 26.1699 -21.6280
10 C8y C 29.4648 -18.8462
11 C8x C 30.5432 -20.8464
12 C1x C 29.3539 -22.4972
13 C1y C 25.5520 -20.4783
14 C2x C 25.1079 -18.5014
15 C2x C 28.2111 -16.9102
16 C1x C 26.9692 -23.4121
17 C1a C 28.7299 -24.4149
18 C8x C 30.6191 -18.2280
19 C8x C 31.7746 -20.2165
20 C2y C 24.8755 -21.5987
21 N1y N 25.1138 -17.1367
22 C2y C 27.3009 -16.0233
23 C8x C 31.7455 -18.9104
24 C2b C 23.4979 -21.6396
25 C1z C 25.9362 -16.0233
26 C8y C 23.8774 -16.7057
27 C1y C 27.8606 -14.8502
28 C1a C 22.8507 -20.3685
29 C1z C 25.1313 -14.9029
30 C8y C 23.8484 -15.3935
31 C8x C 22.6533 -17.3238
32 C1x C 27.1900 -13.7309
33 C2y C 28.4846 -13.7076
34 C1y C 25.8837 -13.7601
35 C1x C 23.6614 -14.2614
36 C8x C 22.7409 -14.6995
37 C8x C 21.5385 -16.6415
38 C1x C 26.3149 -11.9877
39 C2b C 29.8550 -13.7482
40 N2y N 25.2072 -12.8685 #+
41 C1x C 23.9768 -13.0136
42 C8x C 21.5795 -15.3235
43 C1a C 30.5607 -14.8444
44 C1a C 24.5425 -11.0596
45 O2x O 26.6512 -17.7080
BOND 56
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 2
14 7 15 1
15 8 16 1
16 8 17 1 #Down
17 10 18 1
18 11 19 2
19 13 20 1
20 14 21 1
21 15 22 2
22 18 23 2
23 20 24 2
24 21 25 1
25 21 26 1
26 22 27 1
27 24 28 1
28 25 29 1
29 26 30 2
30 26 31 1
31 27 32 1
32 27 33 1
33 29 34 1
34 29 35 1 #Up
35 30 36 1
36 31 37 2
37 33 38 1
38 33 39 2
39 34 40 1
40 35 41 1
41 36 42 2
42 39 43 1
43 40 44 1 #Down
44 7 10 1
45 8 12 1
46 9 13 1
47 16 20 1
48 19 23 1
49 22 25 1
50 29 30 1
51 32 34 1
52 37 42 1
53 38 40 1
54 40 41 1
55 25 45 1 #Up
56 2 45 1 #Up
|