ATOM 40
1 C8x C 21.0236 -22.1010
2 C8x C 21.0236 -23.5036
3 C8x C 22.2422 -24.2084
4 C8x C 22.2422 -21.4032
5 C8y C 23.4537 -22.1010
6 C8y C 23.4476 -23.5036
7 N1x N 24.6602 -24.2135
8 N1x N 24.6722 -21.4085
9 C8y C 25.8778 -22.1113
10 C8y C 25.8651 -23.5102
11 C8x C 27.0711 -24.2242
12 C8x C 28.3598 -23.5321
13 C8y C 28.3026 -22.1331
14 C8x C 27.0964 -21.4263
15 O2a O 29.5095 -21.4314
16 C1b C 30.7219 -22.1221
17 C1b C 31.9339 -21.4243
18 C1c C 33.1463 -22.1152
19 C1b C 34.3586 -21.4175
20 C1b C 35.5639 -22.1081
21 C2b C 36.7760 -21.4103
22 C2c C 37.9883 -22.1010
23 C1b C 39.2006 -21.4032
24 C1b C 40.4128 -22.0940
25 C2b C 41.6251 -21.3963
26 C2c C 42.8375 -22.0869
27 C1b C 44.0427 -21.3892
28 C1b C 45.2548 -22.0798
29 C2b C 46.4671 -21.3821
30 C2c C 47.6795 -22.0728
31 C1b C 48.8916 -21.3751
32 C1b C 50.1040 -22.0658
33 C2b C 51.3162 -21.3680
34 C2c C 52.5284 -22.0587
35 C1a C 53.7336 -21.3609
36 C1a C 33.1493 -23.5177
37 C1a C 37.9913 -23.5036
38 C1a C 42.7705 -23.4895
39 C1a C 47.6825 -23.4753
40 C1a C 52.5314 -23.4613
BOND 42
1 18 19 1
2 5 4 1
3 19 20 1
4 4 1 2
5 20 21 1
6 21 22 2
7 1 2 1
8 22 23 1
9 2 3 2
10 23 24 1
11 3 6 1
12 24 25 1
13 9 10 2
14 25 26 2
15 10 11 1
16 26 27 1
17 11 12 2
18 27 28 1
19 12 13 1
20 28 29 1
21 13 14 2
22 29 30 2
23 14 9 1
24 30 31 1
25 5 6 2
26 31 32 1
27 13 15 1
28 32 33 1
29 6 7 1
30 33 34 2
31 15 16 1
32 34 35 1
33 7 10 1
34 18 36 1 #Either
35 16 17 1
36 22 37 1
37 9 8 1
38 26 38 1
39 17 18 1
40 30 39 1
41 8 5 1
42 34 40 1
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