ATOM 111
1 O2x O 33.1466 -18.3516
2 C1y C 33.1466 -19.6974
3 C1y C 34.3507 -20.4058
4 C1y C 35.5549 -19.6974
5 C1y C 35.5549 -18.3516
6 C1y C 34.3507 -17.6433
7 C1y C 30.8091 -23.3808
8 O2x O 30.8091 -24.7974
9 C1y C 31.9424 -25.4349
10 C1y C 33.1466 -24.7974
11 C1y C 33.1466 -23.3808
12 C1y C 31.9424 -22.7433
13 C1y C 15.7216 -27.4891
14 C1y C 15.7216 -28.8349
15 O2x O 14.5175 -26.7808
16 C1y C 14.5175 -29.5433
17 O1a O 16.9258 -29.5433
18 C1y C 13.3841 -27.4891
19 C1y C 13.3841 -28.8349
20 O1a O 14.5175 -30.8891
21 C1b C 12.1091 -26.7808
22 C1z C 23.1591 -24.7266
23 C1z C 24.4341 -24.0183
24 C1y C 22.0258 -24.0183
25 C1x C 23.1591 -26.0724
26 C2y C 24.4341 -22.6724
27 C1x C 25.5674 -24.7266
28 C1b C 24.4341 -25.3641
29 C1z C 20.8216 -24.7266
30 C1x C 22.0258 -22.6724
31 C1x C 22.0258 -26.7808
32 C1y C 25.5674 -22.0349
33 C2x C 23.2299 -21.9641
34 C1x C 26.7716 -24.0891
35 C1y C 20.8216 -26.0724
36 C1x C 19.6175 -24.0183
37 C1a C 20.8216 -23.3099
38 C1z C 26.7716 -22.7433
39 C1x C 25.5674 -20.6891
40 C1z C 19.6175 -26.7808
41 C1y C 18.4841 -24.7266
42 C1x C 27.9758 -22.0349
43 C7a C 27.9049 -23.3808
44 C1z C 26.8424 -19.9808
45 C1y C 18.4841 -26.0724
46 C1x C 27.9758 -20.6891
47 O7a O 29.1799 -22.7433
48 C1a C 27.5508 -18.7766
49 C1a C 26.1341 -18.7766
50 O2a O 17.1383 -26.7808
51 O6a O 27.9049 -24.7974
52 O1a O 17.2800 -24.0183
53 C1a C 31.9424 -26.8516
54 O1a O 12.1800 -29.5433
55 O1a O 34.3507 -22.7433
56 O2a O 31.9424 -21.1141
57 O1a O 34.3507 -21.7516
58 C1a C 34.3507 -16.5100
59 O1a O 25.6383 -26.0724
60 C1a C 23.1591 -23.8058
61 C6a C 19.6175 -28.4808
62 C1a C 18.3425 -27.4183
63 O6a O 18.3425 -29.3308
64 O1a O 10.9050 -27.4891
65 O7a O 34.3507 -25.5058
66 C7a C 35.6257 -24.8683
67 C2b C 36.8299 -25.5766
68 O6a O 35.6257 -23.4516
69 C2b C 38.1049 -24.9391
70 C8y C 39.3091 -25.6474
71 C8x C 39.3091 -27.0641
72 C8y C 40.5132 -27.7724
73 C8y C 41.7882 -27.1349
74 C8y C 41.7882 -25.7183
75 C8x C 40.5841 -24.9391
76 O2a O 40.5132 -29.1891
77 C1a C 41.7174 -29.8974
78 O2a O 42.9924 -27.8433
79 C1a C 44.2674 -27.2058
80 O2a O 42.9924 -25.0099
81 C1a C 44.1966 -25.7183
82 O2a O 36.7591 -20.4058
83 C1y C 37.9632 -19.6974
84 O2x O 39.0966 -20.4766
85 C1x C 40.2299 -19.6266
86 C1z C 39.8049 -18.3516
87 C1y C 38.3882 -18.3516
88 O1a O 40.6549 -17.2183
89 O1a O 37.5382 -17.2183
90 C1b C 41.0091 -19.0599
91 O1a O 42.2132 -18.3516
92 O2a O 36.5013 -17.2232
93 C1y C 36.4567 -15.8017
94 O2x O 37.7843 -15.1124
95 C1x C 37.7454 -13.6962
96 C1y C 36.5348 -12.9603
97 C1y C 35.2781 -13.6486
98 C1y C 35.2462 -15.0650
99 O1a O 36.5666 -11.5517
100 O2a O 34.0753 -12.9178
101 C1y C 32.8354 -13.5969
102 C1y C 31.6492 -12.8758
103 C1y C 30.4066 -13.5563
104 C1y C 30.3747 -14.9727
105 C1x C 31.5610 -15.6938
106 O2x O 32.8044 -15.0133
107 O1a O 31.6807 -11.4810
108 O1a O 29.1700 -12.8049
109 O1a O 29.1483 -15.6441
110 O1a O 34.0116 -15.7408
111 O6a O 20.8788 -29.0549
BOND 122
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 7 12 1
13 18 19 1
14 13 14 1
15 13 15 1
16 14 16 1
17 14 17 1 #Down
18 15 18 1
19 16 19 1
20 16 20 1 #Up
21 18 21 1 #Up
22 22 23 1
23 22 24 1
24 22 25 1
25 23 26 1
26 23 27 1
27 23 28 1 #Down
28 24 29 1
29 24 30 1
30 25 31 1
31 26 32 1
32 26 33 2
33 27 34 1
34 29 35 1
35 29 36 1
36 29 37 1 #Up
37 32 38 1
38 32 39 1
39 35 40 1
40 36 41 1
41 38 42 1
42 38 43 1 #Up
43 39 44 1
44 40 45 1
45 42 46 1
46 43 47 1
47 44 48 1
48 44 49 1
49 45 50 1 #Up
50 30 33 1
51 31 35 1
52 34 38 1
53 41 45 1
54 44 46 1
55 13 50 1 #Up
56 43 51 2
57 41 52 1 #Up
58 7 47 1 #Up
59 9 53 1 #Up
60 19 54 1 #Down
61 11 55 1 #Up
62 12 56 1 #Down
63 2 56 1 #Down
64 3 57 1 #Up
65 6 58 1 #Up
66 28 59 1
67 22 60 1 #Up
68 40 61 1
69 40 62 1 #Up
70 61 63 1
71 21 64 1
72 10 65 1 #Up
73 65 66 1
74 66 67 1
75 66 68 2
76 67 69 2
77 69 70 1
78 70 71 2
79 71 72 1
80 72 73 2
81 73 74 1
82 74 75 2
83 70 75 1
84 72 76 1
85 76 77 1
86 73 78 1
87 78 79 1
88 74 80 1
89 80 81 1
90 4 82 1 #Up
91 83 82 1 #Up
92 83 84 1
93 84 85 1
94 85 86 1
95 86 87 1
96 83 87 1
97 86 88 1 #Down
98 87 89 1 #Down
99 86 90 1
100 90 91 1
101 5 92 1 #Down
102 93 92 1 #Up
103 93 94 1
104 94 95 1
105 95 96 1
106 96 97 1
107 97 98 1
108 93 98 1
109 96 99 1 #Down
110 97 100 1 #Up
111 101 100 1 #Down
112 101 102 1
113 102 103 1
114 103 104 1
115 104 105 1
116 105 106 1
117 101 106 1
118 102 107 1 #Up
119 103 108 1 #Down
120 104 109 1 #Down
121 98 110 1 #Down
122 61 111 2
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