ATOM 109
1 C1y C 19.4506 -10.4390
2 C1y C 19.4506 -9.1111
3 C1y C 18.3029 -11.1099
4 O2a O 21.7975 -12.8248
5 O2x O 18.2902 -8.4406
6 O2b O 20.5983 -8.4275
7 C1z C 17.1426 -10.4521
8 O7a O 18.2902 -12.4509
9 C1y C 19.4506 -16.5127
10 C1y C 17.1299 -9.1238
11 P1b P 21.9266 -8.4275
12 C1a C 15.8532 -10.1039
13 O1a O 16.0080 -11.2643
14 C7a C 17.1299 -13.0955
15 C1y C 19.4506 -17.8537
16 O2x O 18.2902 -15.8550
17 C6a C 15.9691 -8.4406
18 O2b O 23.2676 -8.4275
19 O1c O 21.9266 -9.7685
20 O1c O 21.9266 -7.0992
21 N1a N 15.9691 -12.4378
22 O6a O 17.1299 -14.4365
23 C1y C 18.3029 -18.5242
24 N1b N 20.6114 -18.5115
25 C1y C 17.1299 -16.5255
26 O6a O 14.8087 -9.1111
27 O6a O 15.9691 -7.1123
28 C1b C 24.4152 -7.7697
29 C1y C 17.1299 -17.8668
30 O1a O 18.3029 -19.8652
31 C5a C 21.7590 -17.8537
32 C1b C 15.4018 -15.9971
33 C1c C 25.5629 -8.4275
34 O2a O 15.9822 -18.5242
35 C1a C 22.9067 -18.5115
36 O5a O 21.7590 -16.5127
37 O2a O 13.5448 -13.3020
38 O2a O 26.7236 -7.7697
39 C6a C 25.5629 -9.7685
40 C1y C 14.8472 -19.2078
41 C1y C 12.3844 -13.9725
42 C1b C 27.8713 -8.4275
43 O6a O 24.6089 -10.7101
44 O6a O 26.5041 -10.7101
45 C1y C 14.8472 -20.5488
46 O2x O 13.6869 -18.5500
47 O2x O 11.2236 -13.3020
48 C1y C 12.3844 -15.3004
49 C2b C 29.0190 -7.7697
50 C1y C 13.6996 -21.2193
51 N1b N 16.0080 -21.2193
52 C1y C 12.5261 -19.2205
53 C1y C 10.0633 -13.9725
54 C1y C 11.2367 -15.9713
55 O1a O 13.5448 -15.9713
56 C2c C 30.1666 -8.4275
57 C1y C 12.5392 -20.5615
58 O1a O 13.6996 -22.5476
59 C5a C 17.1557 -20.5357
60 C1a C 11.3657 -18.5500
61 C1y C 10.0760 -15.3004
62 C1b C 8.9156 -13.3020
63 O1a O 11.2236 -17.2992
64 C1b C 31.3270 -7.7697
65 C1a C 30.1666 -9.7685
66 O2a O 11.3915 -21.2324
67 C1a C 18.3029 -21.2066
68 O5a O 17.1426 -19.2078
69 O1a O 8.9156 -15.9582
70 O1a O 7.7552 -13.9594
71 C1b C 32.4747 -8.4275
72 C1y C 10.2439 -21.9029
73 C2b C 33.6350 -7.7697
74 O2x O 9.0831 -21.2451
75 C1y C 10.2439 -23.2439
76 C2b C 34.7827 -8.4275
77 C1y C 7.9355 -21.9029
78 C1y C 9.0831 -23.9144
79 O1a O 11.3915 -23.9144
80 C1d C 35.9304 -7.7697
81 C5a C 6.9815 -20.9613
82 C1y C 7.9355 -23.2439
83 O1a O 9.0704 -25.2427
84 C1b C 37.0911 -8.4275
85 C1a C 34.9764 -6.8157
86 C1a C 36.9621 -6.7899
87 N1b N 5.6532 -20.9486
88 O5a O 7.6389 -19.8009
89 O1a O 6.7751 -23.9013
90 C1b C 38.2388 -7.7697
91 C2y C 4.9827 -19.7878
92 C2c C 39.3865 -8.4275
93 C5x C 3.6544 -19.8652
94 C2y C 5.3178 -18.4984
95 C1b C 40.5341 -7.7697
96 C2a C 39.3865 -9.7685
97 C1x C 3.1646 -18.6274
98 O5x O 2.7001 -20.8068
99 C1x C 4.1959 -17.7763
100 O1a O 6.4654 -17.8279
101 C2b C 41.6945 -8.4275
102 C2c C 42.8422 -7.7697
103 C1b C 43.9898 -8.4275
104 C1a C 42.8422 -6.4287
105 C1b C 45.1506 -7.7697
106 C2b C 46.2982 -8.4148
107 C2c C 47.4586 -7.7570
108 C1a C 48.6063 -8.4148
109 C1a C 47.4455 -6.4160
BOND 114
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Up
8 9 4 1 #Up
9 5 10 1
10 6 11 1
11 7 12 1 #Up
12 7 13 1 #Down
13 8 14 1
14 9 15 1
15 9 16 1
16 10 17 1 #Up
17 11 18 1
18 11 19 1
19 11 20 2
20 14 21 1
21 14 22 2
22 15 23 1
23 15 24 1 #Down
24 16 25 1
25 17 26 1
26 17 27 2
27 18 28 1
28 23 29 1
29 23 30 1 #Up
30 24 31 1
31 25 32 1 #Up
32 28 33 1
33 29 34 1 #Down
34 31 35 1
35 31 36 2
36 32 37 1
37 33 38 1 #Up
38 33 39 1
39 40 34 1 #Up
40 41 37 1 #Up
41 38 42 1
42 39 43 1
43 39 44 2
44 40 45 1
45 40 46 1
46 41 47 1
47 41 48 1
48 42 49 1
49 45 50 1
50 45 51 1 #Down
51 46 52 1
52 47 53 1
53 48 54 1
54 48 55 1 #Down
55 49 56 2
56 50 57 1
57 50 58 1 #Up
58 51 59 1
59 52 60 1 #Up
60 53 61 1
61 53 62 1 #Up
62 54 63 1 #Up
63 56 64 1
64 56 65 1
65 57 66 1 #Down
66 59 67 1
67 59 68 2
68 61 69 1 #Down
69 62 70 1
70 64 71 1
71 72 66 1 #Up
72 71 73 1
73 72 74 1
74 72 75 1
75 73 76 2
76 74 77 1
77 75 78 1
78 75 79 1 #Down
79 76 80 1
80 77 81 1 #Up
81 77 82 1
82 78 83 1 #Up
83 80 84 1
84 80 85 1
85 80 86 1
86 81 87 1
87 81 88 2
88 82 89 1 #Up
89 84 90 1
90 87 91 1
91 90 92 1
92 91 93 1
93 91 94 2
94 92 95 1
95 92 96 2
96 93 97 1
97 93 98 2
98 94 99 1
99 94 100 1
100 95 101 1
101 101 102 2
102 102 103 1
103 102 104 1
104 103 105 1
105 105 106 1
106 106 107 2
107 107 108 1
108 107 109 1
109 7 10 1
110 25 29 1
111 52 57 1
112 54 61 1
113 78 82 1
114 97 99 1
|