ATOM 75
1 C8y C 7.6300 -9.3100
2 C8x C 7.6300 -10.7100
3 C8x C 10.0549 -10.7100
4 C8y C 10.0549 -9.3100
5 C2c C 8.8424 -8.6100
6 C8x C 6.4176 -8.6100
7 C8x C 5.2051 -9.3100
8 C8y C 5.2051 -10.7100
9 C8x C 6.4176 -11.4100
10 C8x C 11.2673 -11.4100
11 C8y C 12.4797 -10.7100
12 C8x C 12.4797 -9.3100
13 C8x C 11.2673 -8.6100
14 C2y C 8.8424 -7.2102
15 C2x C 10.0380 -6.5197
16 C2x C 10.0378 -5.1197
17 C2y C 8.8253 -4.4199
18 C2x C 7.6298 -5.1103
19 C2x C 7.6299 -6.5103
20 N2a N 8.8252 -3.0100
21 N1a N 3.9740 -11.4210
22 N1a N 13.6773 -11.4015
23 C8x C 16.3379 -7.5674
24 C8x C 16.3379 -8.9472
25 C8x C 17.5327 -9.6370
26 C8x C 18.7277 -8.9472
27 C8y C 18.7277 -7.5674
28 C8y C 17.5327 -6.8776
29 C8y C 19.9225 -6.8776
30 C8y C 19.9225 -5.4978
31 C8y C 18.7277 -4.8080
32 C8x C 17.5327 -5.4978
33 C1b C 21.7393 -7.7066
34 C8y C 23.4024 -6.8876
35 C8y C 24.5720 -7.5629
36 C8y C 25.7669 -6.8729
37 C8x C 25.7669 -5.4932
38 C8y C 24.5972 -4.8180
39 C8y C 23.4023 -5.5079
40 C8x C 24.5720 -8.9426
41 C8x C 25.7670 -9.6324
42 C8x C 26.9618 -8.9425
43 C8x C 26.9618 -7.5628
44 C6a C 18.7277 -3.4284
45 O6a O 19.9411 -2.7277
46 O6a O 17.5514 -2.7492
47 C6a C 24.5970 -3.4283
48 O6a O 23.4165 -2.7469
49 O6a O 25.8062 -2.7299
50 O1a O 21.1194 -4.8068
51 O1a O 22.1822 -4.8034
52 O0 O 22.6100 -11.4100
53 C8y C 7.6300 -9.3100
54 C8x C 7.6300 -10.7100
55 C8x C 6.4176 -11.4100
56 C8y C 5.2051 -10.7100
57 C8x C 5.2051 -9.3100
58 C8x C 6.4176 -8.6100
59 N1a N 3.9740 -11.4210
60 C2c C 8.8424 -8.6100
61 C8y C 10.0549 -9.3100
62 C8x C 10.0549 -10.7100
63 C8x C 11.2673 -11.4100
64 C8y C 12.4797 -10.7100
65 C8x C 12.4797 -9.3100
66 C8x C 11.2673 -8.6100
67 N1a N 13.6773 -11.4015
68 C2y C 8.8424 -7.2102
69 C2x C 10.0380 -6.5197
70 C2x C 10.0378 -5.1197
71 C2y C 8.8253 -4.4199
72 C2x C 7.6298 -5.1103
73 C2x C 7.6299 -6.5103
74 N2a N 8.8252 -3.0100
75 O0 O 22.6100 -11.4100
BOND 80
1 23 24 2
2 24 25 1
3 25 26 2
4 26 27 1
5 27 28 2
6 23 28 1
7 27 29 1
8 29 30 2
9 30 31 1
10 31 32 2
11 28 32 1
12 29 33 1
13 33 34 1
14 34 35 1
15 35 36 2
16 36 37 1
17 37 38 2
18 38 39 1
19 34 39 2
20 35 40 1
21 40 41 2
22 41 42 1
23 42 43 2
24 36 43 1
25 31 44 1
26 44 45 2
27 44 46 1
28 38 47 1
29 47 48 2
30 47 49 1
31 30 50 1
32 39 51 1
33 1 2 1
34 3 4 1
35 4 5 1
36 1 5 1
37 1 6 2
38 6 7 1
39 7 8 2
40 8 9 1
41 2 9 2
42 3 10 2
43 10 11 1
44 11 12 2
45 12 13 1
46 4 13 2
47 5 14 2
48 14 15 1
49 15 16 2
50 16 17 1
51 17 18 1
52 18 19 2
53 14 19 1
54 17 20 2
55 8 21 1
56 11 22 1
57 53 54 1
58 62 61 1
59 61 60 1
60 53 60 1
61 53 58 2
62 58 57 1
63 57 56 2
64 56 55 1
65 54 55 2
66 62 63 2
67 63 64 1
68 64 65 2
69 65 66 1
70 61 66 2
71 60 68 2
72 68 69 1
73 69 70 2
74 70 71 1
75 71 72 1
76 72 73 2
77 68 73 1
78 71 74 2
79 56 59 1
80 64 67 1
BRACKET 1 2.1000 -12.4600 2.1000 -2.3800
1 15.4000 -2.3800 15.4000 -12.4600
1 2
ORIGINAL 1 1 2 9 8 7 6 21 5 4 3 10 11 12 13 22 14
1 15 16 17 18 19 20
REPEAT 1 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68
1 69 70 71 72 73 74
2 20.4400 -12.3900 20.4400 -10.5700
2 23.3100 -10.5700 23.3100 -12.3900
2 2
ORIGINAL 2 52
REPEAT 2 75
| 
