ATOM 91
1 O1a O 27.9891 -21.6831
2 C1b C 29.2019 -20.9830
3 C1y C 31.3023 -22.1957
4 C1y C 32.7026 -22.1957
5 C1y C 33.4028 -20.9830
6 C1y C 32.7026 -19.7702
7 O2x O 31.3023 -19.7702
8 C1y C 30.6022 -20.9830
9 C8y C 26.6628 -16.2551
10 C8x C 26.6628 -17.6554
11 C8y C 27.8785 -18.3555
12 C8x C 27.8785 -15.5549
13 C8y C 29.0170 -16.2551
14 C8y C 29.0810 -17.6554
15 C8x C 30.2907 -18.3606
16 C8y C 31.5063 -17.6657
17 C8y C 31.5125 -16.2654
18 O2x O 30.3028 -15.5600 #+
19 C8y C 32.7281 -15.5704
20 C8x C 33.9340 -16.2790
21 C8y C 35.1497 -15.5841
22 C8y C 35.1558 -14.1838
23 C8y C 33.9461 -13.4784
24 C8x C 32.7303 -14.1735
25 O1a O 36.3714 -13.4887
26 O2a O 36.3594 -16.2893
27 C1y C 37.7591 -16.2832
28 O2x O 38.4644 -17.4926
29 C1y C 39.8642 -17.4865
30 C1y C 40.5587 -16.2712
31 C1y C 39.8537 -15.0620
32 C1y C 38.4539 -15.0679
33 O2a O 32.7160 -18.3710
34 O2a O 25.4506 -15.5542
35 C1y C 24.2375 -16.2537
36 O2x O 23.0309 -15.5558
37 C1y C 21.8178 -16.2554
38 C1y C 21.8171 -17.6557
39 C1y C 23.0295 -18.3564
40 C1y C 24.2424 -17.6569
41 O1a O 25.4564 -18.3552
42 O1a O 23.0287 -19.7567
43 O1a O 20.6040 -18.3552
44 C1b C 20.6056 -15.5546
45 O7a O 19.3925 -16.2540
46 C7a C 18.1801 -15.5532
47 O6a O 18.1809 -14.1529
48 C2b C 16.9672 -16.2529
49 C2b C 16.9663 -17.6532
50 C8y C 15.7532 -18.3526
51 C8x C 14.5466 -17.6515
52 C8y C 13.3335 -18.3509
53 C8y C 13.3328 -19.7512
54 C8x C 14.5451 -20.4521
55 C8x C 15.7581 -19.7526
56 O1a O 12.1197 -20.4509
57 O1a O 12.1211 -17.6503
58 O2a O 34.8031 -20.9830
59 C1y C 35.5032 -22.1957
60 O2x O 34.8031 -23.4083
61 C1y C 35.5032 -24.6210
62 C1y C 36.9035 -24.6210
63 C1y C 37.6037 -23.4083
64 C1y C 36.9035 -22.1957
65 C1b C 34.8031 -25.8338
66 O1a O 33.4028 -25.8338
67 O1a O 37.6037 -25.8338
68 O1a O 39.0040 -23.4083
69 O7a O 37.6037 -20.9830
70 C7a C 39.0040 -20.9830
71 C2b C 39.7041 -22.1957
72 O6a O 38.9897 -19.5789
73 C2b C 41.1044 -22.1957
74 C8y C 41.8046 -23.4083
75 C8x C 41.0995 -24.6139
76 C8y C 41.7997 -25.8267
77 C8y C 43.2000 -25.8267
78 C8x C 43.9001 -24.6139
79 C8x C 43.2000 -23.4013
80 O1a O 43.9001 -27.0394
81 O1a O 41.0995 -27.0394
82 O1a O 30.6022 -23.4083
83 C6a C 40.5696 -18.6962
84 O6a O 39.8747 -19.9118
85 O6a O 41.9699 -18.6901
86 O1a O 41.9590 -16.2651
87 O1a O 40.5485 -13.8462
88 O1a O 37.7485 -13.8584
89 O1a O 27.8819 -19.7558
90 O1a O 33.4028 -23.4083
91 O1a O 33.9520 -12.0781
BOND 99
1 24 19 1
2 13 12 2
3 22 25 1
4 12 9 1
5 35 36 1
6 36 37 1
7 37 38 1
8 38 39 1
9 39 40 1
10 40 35 1
11 21 26 1
12 40 41 1 #Down
13 4 5 1
14 39 42 1 #Up
15 27 26 1 #Up
16 38 43 1 #Down
17 5 6 1
18 37 44 1 #Up
19 6 7 1
20 44 45 1
21 7 8 1
22 45 46 1
23 8 3 1
24 46 47 2
25 1 2 1
26 46 48 1
27 27 28 1
28 48 49 2
29 28 29 1
30 49 50 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 27 1
35 13 14 1
36 50 51 2
37 51 52 1
38 52 53 2
39 53 54 1
40 54 55 2
41 55 50 1
42 16 33 1
43 53 56 1
44 6 33 1 #Up
45 52 57 1
46 8 2 1 #Up
47 5 58 1 #Down
48 14 15 1
49 59 58 1 #Up
50 15 16 2
51 16 17 1
52 59 60 1
53 60 61 1
54 61 62 1
55 62 63 1
56 63 64 1
57 64 59 1
58 17 18 2
59 61 65 1 #Up
60 65 66 1
61 18 13 1
62 62 67 1 #Down
63 63 68 1 #Up
64 64 69 1 #Down
65 69 70 1
66 17 19 1
67 70 71 1
68 70 72 2
69 71 73 2
70 73 74 1
71 3 4 1
72 9 10 2
73 10 11 1
74 74 75 2
75 75 76 1
76 76 77 2
77 77 78 1
78 78 79 2
79 79 74 1
80 77 80 1
81 11 14 2
82 76 81 1
83 4 90 1 #Up
84 3 82 1 #Up
85 19 20 2
86 29 83 1 #Up
87 83 84 1
88 20 21 1
89 83 85 2
90 30 86 1 #Down
91 21 22 2
92 31 87 1 #Up
93 9 34 1
94 32 88 1 #Down
95 22 23 1
96 11 89 1
97 35 34 1 #Up
98 23 24 2
99 23 91 1
| 
