ATOM 69
1 C8x C 5.1800 -17.0100
2 C8y C 5.1800 -18.4100
3 C8x C 6.3924 -19.1100
4 C8x C 7.6049 -18.4100
5 C8y C 7.6049 -17.0100
6 C8x C 6.3924 -16.3100
7 O1a O 3.9676 -19.1100
8 C1b C 8.8424 -16.3100
9 C1c C 10.0549 -17.0100
10 C5a C 11.2673 -16.3100
11 N1b N 12.4797 -17.0100
12 C1b C 13.6922 -16.3100
13 C5a C 14.9046 -17.0100
14 N1b N 16.1170 -16.3100
15 C1b C 17.3295 -17.0100
16 C5a C 18.5419 -16.3100
17 N1b N 19.7544 -17.0100
18 N1a N 10.0549 -18.4098
19 O5a O 11.2673 -14.9100
20 O5a O 14.9046 -18.2700
21 O5a O 18.5419 -14.9100
22 C1c C 20.9524 -16.3100
23 C5a C 22.1649 -17.0100
24 N1b N 23.3773 -16.3100
25 C1c C 24.5897 -17.0100
26 C1b C 25.8022 -16.3100
27 C1b C 27.0146 -17.0100
28 S2a S 28.2270 -16.3100
29 C1a C 29.4395 -17.0100
30 C1b C 20.9488 -14.9101
31 C8y C 22.1454 -14.2151
32 C8x C 23.3383 -14.8998
33 C8x C 24.5489 -14.1967
34 C8x C 24.5454 -12.7968
35 C8x C 23.3525 -12.1120
36 C8x C 22.1418 -12.8151
37 O5a O 22.1649 -18.4098
38 C5a C 24.5897 -18.4099
39 O5a O 23.3625 -19.1185
40 N1b N 25.7874 -19.1014
41 C1c C 25.7874 -20.5014
42 C1b C 26.9724 -21.2100
43 C1b C 28.1849 -20.5100
44 C1b C 29.3973 -21.2100
45 N1b N 30.6097 -20.5100
46 C2c C 31.8222 -21.2100
47 N1a N 33.0346 -20.5100
48 C5a C 24.5476 -21.2100
49 N1b N 23.3351 -20.5100
50 C1c C 22.1227 -21.2100
51 C1b C 20.9103 -20.5100
52 C1b C 19.6978 -21.2100
53 C1b C 18.4854 -20.5100
54 N1b N 17.2730 -21.2100
55 C2c C 16.0605 -20.5100
56 N1a N 14.8481 -21.2100
57 N2a N 31.8222 -22.6097
58 O5a O 24.5445 -22.6098
59 C5a C 22.1227 -22.6100
60 O5a O 23.3331 -23.3088
61 N1b N 20.9082 -23.3112
62 C1c C 20.9082 -24.7112
63 C5a C 19.7127 -25.4016
64 O5a O 18.5244 -24.7155
65 N1a N 19.7126 -26.8097
66 C1c C 22.1364 -25.4203
67 C1a C 23.3409 -24.7249
68 C1a C 22.1363 -26.8099
69 N2a N 16.0605 -19.1103
BOND 70
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 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 9 18 1 #Up
19 10 19 2
20 13 20 2
21 16 21 2
22 17 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 22 30 1 #Up
31 30 31 1
32 31 32 2
33 32 33 1
34 33 34 2
35 34 35 1
36 35 36 2
37 31 36 1
38 23 37 2
39 25 38 1 #Up
40 38 39 2
41 38 40 1
42 41 40 1 #Up
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 46 47 1
49 41 48 1
50 48 49 1
51 49 50 1
52 50 51 1
53 51 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 46 57 2
59 48 58 2
60 50 59 1 #Up
61 59 60 2
62 59 61 1
63 61 62 1
64 62 63 1
65 63 64 2
66 63 65 1
67 62 66 1 #Up
68 66 67 1
69 66 68 1
70 55 69 2
| 
