ATOM 42
1 C1z C 21.8625 -14.1579
2 N1y N 21.8625 -15.4897
3 C1y C 22.9840 -13.5270
4 O2x O 20.7410 -13.5270
5 C1y C 22.9840 -16.1206
6 C5x C 19.5494 -15.4897
7 N1y N 24.1056 -14.1579
8 C1x C 22.9840 -12.1952
9 C1z C 19.5494 -14.1579
10 C5x C 24.1056 -15.4196
11 O5x O 18.7082 -16.3308
12 C1x C 25.2271 -13.5270
13 C1x C 25.2271 -12.1952
14 N1b N 18.0072 -13.4569
15 O5x O 25.2271 -16.1206
16 C5a C 16.5353 -14.1579
17 C1y C 16.5353 -15.4897
18 O5a O 15.3436 -13.5270
19 C2x C 15.3436 -16.1206
20 C1x C 17.5867 -16.1206
21 C2y C 15.3436 -17.3823
22 N1y N 17.5867 -17.3823
23 C8y C 14.2221 -18.0132
24 C1y C 16.5353 -18.0833
25 C1a C 18.7783 -18.0833
26 C8y C 14.2221 -19.3450
27 C8x C 13.1707 -17.3823
28 C1x C 16.5353 -19.3450
29 C8y C 15.3436 -19.9758
30 C8y C 13.1707 -19.9758
31 C8x C 12.0491 -18.0132
32 C8x C 15.3436 -21.2375
33 N4x N 13.1707 -21.2375
34 C8x C 12.0491 -19.3450
35 C1c C 22.9840 -17.4524
36 C1a C 24.1056 -18.0833
37 C1b C 21.7925 -18.0833
38 C1a C 21.7925 -19.4852
39 O1a O 21.8625 -12.7514
40 C1c C 19.5494 -11.9148
41 C1a C 20.8111 -11.2138
42 C1a C 18.4279 -11.2138
BOND 48
1 4 9 1
2 5 10 1
3 6 11 2
4 7 12 1
5 8 13 1
6 9 14 1 #Down
7 10 15 2
8 14 16 1
9 17 16 1 #Up
10 16 18 2
11 17 19 1
12 17 20 1
13 19 21 2
14 20 22 1
15 21 23 1
16 21 24 1
17 22 25 1
18 23 26 1
19 23 27 2
20 24 28 1
21 26 29 1
22 26 30 2
23 27 31 1
24 29 32 2
25 30 33 1
26 30 34 1
27 6 9 1
28 7 10 1
29 12 13 1
30 22 24 1
31 28 29 1
32 31 34 2
33 32 33 1
34 1 2 1
35 1 3 1
36 1 4 1
37 2 5 1
38 2 6 1
39 3 7 1
40 3 8 1
41 35 36 1 #Up
42 35 37 1
43 37 38 1
44 5 35 1
45 1 39 1 #Down
46 40 41 1
47 40 42 1
48 9 40 1 #Up
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