ATOM 106
1 O7a O 27.9841 -21.6513
2 C1b C 29.1969 -20.9511
3 C7a C 26.7714 -20.9511
4 C1y C 31.2973 -22.1638
5 C1y C 32.6976 -22.1638
6 C1y C 33.3977 -20.9511
7 C1y C 32.6976 -19.7384
8 O2x O 31.2973 -19.7384
9 C1y C 30.5972 -20.9511
10 C8y C 26.6578 -16.2232
11 C8x C 26.6578 -17.6235
12 C8y C 27.8735 -18.3237
13 C8x C 27.8735 -15.5231
14 C8y C 29.0820 -16.2232
15 C8y C 29.0760 -17.6235
16 C8x C 30.2857 -18.3287
17 C8y C 31.5013 -17.6339
18 C8y C 31.5074 -16.2336
19 O2x O 30.2977 -15.5282 #+
20 C8y C 32.7231 -15.5385
21 C8x C 33.9290 -16.2471
22 C8y C 35.1446 -15.5523
23 C8y C 35.1507 -14.1520
24 C8y C 33.9411 -13.4466
25 C8x C 32.6553 -14.1416
26 O1a O 36.3664 -13.4569
27 O2a O 36.3543 -16.2575
28 C1y C 37.7541 -16.2514
29 O2x O 38.4593 -17.4607
30 C1y C 39.8591 -17.4546
31 C1y C 40.5537 -16.2393
32 C1y C 39.8486 -15.0302
33 C1y C 38.4488 -15.0361
34 O2a O 32.7110 -18.3391
35 O6a O 26.7714 -19.5508
36 C1b C 25.5588 -21.6513
37 C7a C 24.3461 -20.9511
38 O7a O 23.1333 -21.6513
39 O6a O 24.3461 -19.5508
40 C1c C 23.1218 -23.0478
41 C1c C 21.9033 -23.7379
42 C6a C 24.3286 -23.7580
43 O6a O 24.3871 -25.1583
44 O6a O 25.5471 -23.0678
45 C6a C 20.6965 -23.0278
46 O1a O 21.8918 -25.1381
47 O6a O 20.7080 -21.6275
48 O6a O 19.4780 -23.7177
49 O2a O 25.4456 -15.5224
50 C1y C 24.2325 -16.2219
51 O2x O 23.0259 -15.5239
52 C1y C 21.8128 -16.2236
53 C1y C 21.8121 -17.6238
54 C1y C 23.0245 -18.3245
55 C1y C 24.2375 -17.6250
56 O1a O 25.4514 -18.3233
57 O1a O 23.0237 -19.7248
58 O1a O 20.5991 -18.3233
59 C1b C 20.6006 -15.5227
60 O7a O 19.3875 -16.2222
61 C7a C 18.1751 -15.5214
62 O6a O 18.1760 -14.1211
63 C2b C 16.9622 -16.2210
64 C2b C 16.9614 -17.6213
65 C8y C 15.7483 -18.3208
66 C8x C 14.5417 -17.6196
67 C8y C 13.3286 -18.3191
68 C8y C 13.3279 -19.7194
69 C8x C 14.5401 -20.4202
70 C8x C 15.7532 -19.7207
71 O1a O 12.1148 -20.4190
72 O1a O 12.1162 -17.6184
73 O2a O 34.7980 -20.9511
74 C1y C 35.4982 -22.1638
75 O2x O 34.7980 -23.3764
76 C1y C 35.4982 -24.5892
77 C1y C 36.8985 -24.5892
78 C1y C 37.5986 -23.3764
79 C1y C 36.8985 -22.1638
80 C1b C 34.7980 -25.8019
81 O1a O 33.3977 -25.8019
82 O1a O 37.5986 -25.8019
83 O1a O 38.9989 -23.3764
84 O7a O 37.5986 -20.9511
85 C7a C 38.9989 -20.9511
86 C2b C 39.6991 -22.1638
87 O6a O 38.9847 -19.5471
88 C2b C 41.0993 -22.1638
89 C8y C 41.7995 -23.3764
90 C8x C 41.0944 -24.5820
91 C8y C 41.7946 -25.7948
92 C8y C 43.1949 -25.7948
93 C8x C 43.8950 -24.5820
94 C8x C 43.1949 -23.3695
95 O1a O 43.8950 -27.0075
96 O1a O 41.0944 -27.0075
97 O1a O 30.5972 -23.3764
98 C6a C 40.5645 -18.6643
99 O6a O 39.8696 -19.8799
100 O6a O 41.9648 -18.6582
101 O1a O 41.9539 -16.2332
102 O1a O 40.5435 -13.8144
103 O1a O 37.7434 -13.8266
104 O1a O 27.8769 -19.7239
105 O1a O 33.3977 -23.3764
106 O1a O 33.9470 -12.0463
BOND 114
1 24 25 2
2 25 20 1
3 14 13 2
4 23 26 1
5 13 10 1
6 50 51 1
7 51 52 1
8 52 53 1
9 53 54 1
10 54 55 1
11 55 50 1
12 22 27 1
13 55 56 1 #Down
14 5 6 1
15 54 57 1 #Up
16 28 27 1 #Up
17 53 58 1 #Down
18 6 7 1
19 52 59 1 #Up
20 7 8 1
21 59 60 1
22 8 9 1
23 60 61 1
24 9 4 1
25 61 62 2
26 1 2 1
27 61 63 1
28 28 29 1
29 63 64 2
30 29 30 1
31 64 65 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 28 1
36 14 15 1
37 65 66 2
38 66 67 1
39 67 68 2
40 68 69 1
41 69 70 2
42 70 65 1
43 17 34 1
44 68 71 1
45 7 34 1 #Up
46 67 72 1
47 9 2 1 #Up
48 6 73 1 #Down
49 15 16 1
50 74 73 1 #Up
51 3 35 2
52 16 17 2
53 3 36 1
54 17 18 1
55 36 37 1
56 74 75 1
57 75 76 1
58 76 77 1
59 77 78 1
60 78 79 1
61 79 74 1
62 18 19 2
63 76 80 1 #Up
64 37 38 1
65 80 81 1
66 19 14 1
67 77 82 1 #Down
68 37 39 2
69 78 83 1 #Up
70 79 84 1 #Down
71 38 40 1
72 84 85 1
73 18 20 1
74 85 86 1
75 40 41 1
76 85 87 2
77 1 3 1
78 86 88 2
79 40 42 1
80 88 89 1
81 4 5 1
82 42 43 1
83 10 11 2
84 42 44 2
85 11 12 1
86 89 90 2
87 90 91 1
88 91 92 2
89 92 93 1
90 93 94 2
91 94 89 1
92 41 45 1
93 92 95 1
94 12 15 2
95 91 96 1
96 5 105 1 #Up
97 41 46 1
98 4 97 1 #Up
99 20 21 2
100 30 98 1 #Up
101 45 47 2
102 98 99 1
103 21 22 1
104 98 100 2
105 45 48 1
106 31 101 1 #Down
107 22 23 2
108 32 102 1 #Up
109 10 49 1
110 33 103 1 #Down
111 23 24 1
112 12 104 1
113 50 49 1 #Up
114 24 106 1
|