ATOM 84
1 C1y C 20.8648 -15.5144
2 C1y C 22.0697 -14.8218
3 C1y C 19.6530 -14.8218
4 O7a O 20.8648 -16.9196
5 C1y C 22.0697 -13.4235
6 N1b N 23.2746 -15.5144
7 C1y C 19.6530 -13.4235
8 O2b O 18.4295 -15.5144
9 C7a C 19.6530 -17.6323
10 O2x O 20.8648 -12.7109
11 O2a O 23.2746 -12.7109
12 C5a C 23.2746 -16.9196
13 C1b C 18.4295 -12.7109
14 P1b P 17.0312 -15.5086
15 C1b C 19.6530 -19.0306
16 O6a O 18.4424 -16.9196
17 C1b C 24.4852 -12.0183
18 C1b C 24.4852 -17.6323
19 O5a O 22.0697 -17.6323
20 O2a O 18.4295 -11.3128
21 O1c O 17.0183 -14.1161
22 O1c O 15.6260 -15.5086 #-
23 O1c O 17.0183 -16.9139
24 C1c C 18.4424 -19.7232
25 C1y C 25.7030 -12.7238
26 C1c C 24.4981 -19.0306
27 C1b C 18.4424 -21.1284
28 O1a O 17.2175 -19.0306
29 C1y C 25.7030 -14.1161
30 O2x O 26.9277 -12.0311
31 C1b C 23.2875 -19.7232
32 O1a O 25.7088 -19.7232
33 C1b C 17.2175 -21.8341
34 C1y C 26.9277 -14.8218
35 O1a O 24.4852 -14.8218
36 C1y C 28.1385 -12.7238
37 C1b C 23.2875 -21.1155
38 C1b C 17.2233 -23.2392
39 C1y C 28.1385 -14.1161
40 O7a O 26.9277 -16.2270
41 O2b O 29.3504 -12.0311
42 C1b C 22.0697 -21.8282
43 C1b C 16.0126 -23.9319
44 N1b N 29.3504 -14.8218
45 C7a C 28.1514 -16.9196
46 P1b P 29.3504 -10.6259
47 C1b C 22.0697 -23.2392
48 C5a C 30.5612 -14.1161
49 C1b C 28.1514 -18.3249
50 O6a O 29.3504 -16.2270
51 O1c O 27.9451 -10.6200
52 O1c O 29.3375 -9.2276 #-
53 O1c O 30.7486 -10.6259
54 C1b C 31.7730 -14.8218
55 O5a O 30.5552 -12.7109
56 C1c C 29.3563 -19.0306
57 C1c C 31.7789 -16.2270
58 C1b C 29.3563 -20.4229
59 O1a O 30.5612 -18.3249
60 C1b C 32.9836 -16.9196
61 O1a O 30.5612 -17.1296
62 C1b C 30.5740 -21.1155
63 C1b C 32.9779 -18.3437
64 C1b C 30.5740 -22.5208
65 C1b C 34.2143 -19.0680
66 C1b C 31.7789 -23.2392
67 C1b C 34.2143 -20.4921
68 R R 17.2183 -10.6207
69 C1b C 16.0099 -25.3234
70 C1b C 14.8045 -26.0203
71 C1b C 14.8018 -27.4116
72 C1b C 20.8657 -23.9314
73 C1b C 20.8657 -25.3228
74 C1b C 19.6617 -26.0220
75 C1b C 31.7628 -24.6305
76 C1b C 32.9587 -25.3365
77 C1b C 32.9426 -26.7278
78 C1b C 35.4183 -21.1844
79 C1b C 35.4183 -22.5757
80 C1b C 36.6295 -23.2749
81 R R 13.5964 -28.1014
82 R R 19.6617 -27.4133
83 R R 34.1385 -27.4410
84 R R 36.6295 -24.6663
BOND 85
1 12 18 1
2 12 19 2
3 13 20 1
4 14 21 1
5 14 22 1
6 14 23 2
7 15 24 1
8 25 17 1 #Up
9 18 26 1
10 24 27 1
11 24 28 1
12 25 29 1
13 25 30 1
14 26 31 1
15 26 32 1
16 27 33 1
17 29 34 1
18 29 35 1 #Down
19 30 36 1
20 31 37 1
21 33 38 1
22 34 39 1
23 34 40 1 #Up
24 36 41 1 #Down
25 37 42 1
26 38 43 1
27 39 44 1 #Down
28 40 45 1
29 41 46 1
30 42 47 1
31 44 48 1
32 45 49 1
33 45 50 2
34 46 51 1
35 46 52 1
36 46 53 2
37 48 54 1
38 48 55 2
39 49 56 1
40 54 57 1
41 56 58 1
42 56 59 1
43 57 60 1
44 57 61 1
45 58 62 1
46 60 63 1
47 62 64 1
48 63 65 1
49 64 66 1
50 65 67 1
51 7 10 1
52 36 39 1
53 20 68 1
54 1 2 1
55 43 69 1
56 1 3 1
57 69 70 1
58 1 4 1 #Up
59 70 71 1
60 2 5 1
61 47 72 1
62 2 6 1 #Down
63 72 73 1
64 3 7 1
65 73 74 1
66 3 8 1 #Down
67 66 75 1
68 4 9 1
69 75 76 1
70 5 10 1
71 76 77 1
72 5 11 1 #Up
73 67 78 1
74 6 12 1
75 78 79 1
76 7 13 1 #Up
77 79 80 1
78 8 14 1
79 71 81 1
80 9 15 1
81 74 82 1
82 9 16 2
83 77 83 1
84 11 17 1
85 80 84 1
| 
