ATOM 102
1 C8y C 33.6776 -24.4196
2 C8x C 34.8994 -23.7199
3 C8x C 33.6825 -25.8224
4 C8y C 36.1130 -24.4178
5 C8x C 34.8964 -26.5331
6 C8y C 36.1049 -25.8209
7 O2a O 37.3347 -23.7125
8 O2a O 37.3315 -26.5182
9 C1a C 38.5358 -24.4161
10 C1a C 38.5346 -25.8134
11 C1y C 32.4453 -11.0590
12 O2x O 33.6552 -11.7570
13 C1y C 32.5070 -9.6555
14 C1y C 34.8694 -11.0532
15 C1y C 33.6467 -8.9477
16 O1a O 31.2336 -8.9531
17 C1y C 34.8581 -9.6546
18 C1b C 36.0808 -11.7600
19 O1a O 33.6399 -7.5530
20 O1a O 36.0818 -8.9482
21 C1y C 10.6835 -26.4472
22 O2x O 9.4869 -25.7268
23 C1y C 10.6825 -27.8410
24 C1y C 8.2645 -26.3933
25 C1y C 9.4491 -28.5144
26 O1a O 11.8790 -28.5615
27 C1y C 8.2535 -27.7808
28 C1b C 7.0660 -25.6647
29 O1a O 9.4254 -29.9092
30 O1a O 7.0209 -28.4754
31 O1a O 7.0869 -24.2747
32 C1z C 19.1726 -22.9790
33 C1z C 17.9680 -23.6716
34 C2y C 19.1913 -21.5824
35 C1x C 20.3784 -23.6833
36 C1b C 19.1609 -24.3817
37 C1y C 16.7692 -22.9602
38 C1x C 17.9680 -25.0742
39 C1a C 18.5221 -22.2621
40 C1y C 20.4088 -20.8969
41 C2x C 17.9926 -20.8781
42 C1x C 21.6530 -23.0038
43 O1a O 20.3784 -25.0742
44 C1z C 15.5389 -23.6587
45 C1x C 16.7692 -21.5635
46 C1x C 16.7504 -25.7597
47 C1z C 21.6076 -21.6256
48 C1x C 20.4218 -19.5001
49 C1y C 15.5329 -25.0554
50 C1x C 14.3343 -22.9545
51 C1a C 15.5329 -22.2561
52 C7a C 22.8134 -22.3183
53 C1x C 22.8193 -20.9401
54 C1z C 21.6322 -18.8392
55 C1z C 14.3343 -25.7597
56 C1y C 13.1039 -23.6587
57 O7a O 24.0179 -21.6010
58 O6a O 22.8005 -23.7208
59 C1x C 22.8379 -19.5435
60 C1a C 22.3305 -17.6146
61 C1a C 20.9178 -17.6829
62 C1y C 13.1039 -25.0554
63 C6a C 14.6930 -27.1203
64 C1a C 13.6173 -26.9843
65 O1a O 11.8993 -22.9545
66 C1y C 25.2354 -22.3053
67 O2a O 11.8993 -25.7597
68 O6a O 16.0897 -27.1203
69 O6a O 14.3154 -28.4666
70 C1y C 26.4470 -21.6198
71 O2x O 25.2995 -23.7150
72 O2a O 26.4529 -20.2172
73 C1y C 27.6704 -22.3183
74 C1y C 26.4341 -24.4193
75 C1y C 26.4470 -18.8204
76 C1y C 27.6516 -23.7208
77 O1a O 28.8690 -21.3456
78 C1a C 26.4281 -25.8217
79 C1y C 27.6516 -18.1091
80 O2x O 25.2295 -18.1407
81 O7a O 28.8504 -24.4251
82 C1y C 27.6399 -16.7065
83 O1a O 28.8819 -18.8017
84 C1y C 25.2107 -16.7311
85 C1y C 26.4281 -16.0082
86 O1a O 28.8504 -15.9894
87 C1a C 23.9874 -16.0328
88 O2a O 26.4095 -14.6115
89 C1y C 27.6083 -13.9013
90 C1y C 27.5966 -12.5046
91 O2x O 28.8329 -14.5868
92 C1y C 28.8010 -11.7873
93 O1a O 26.3791 -11.8121
94 C1x C 30.0373 -13.8698
95 C1y C 30.0244 -12.4670
96 O1a O 28.7766 -10.3955
97 O2a O 31.2360 -11.7629
98 C7a C 30.0536 -23.7203
99 C2b C 31.2616 -24.4196
100 C2b C 32.4696 -23.7203
101 O6a O 30.0502 -22.3216
102 O1a O 36.0744 -13.1587
BOND 112
1 15 19 1 #Up
2 17 20 1 #Up
3 15 17 1
4 1 2 1
5 1 3 2
6 2 4 2
7 3 5 1
8 4 6 1
9 4 7 1
10 6 8 1
11 7 9 1
12 8 10 1
13 5 6 2
14 21 22 1
15 21 23 1
16 22 24 1
17 23 25 1
18 23 26 1 #Down
19 24 27 1
20 24 28 1 #Up
21 25 29 1 #Up
22 27 30 1 #Down
23 28 31 1
24 25 27 1
25 11 12 1
26 11 13 1
27 12 14 1
28 32 33 1
29 32 34 1
30 32 35 1
31 32 36 1 #Down
32 33 37 1
33 33 38 1
34 33 39 1 #Up
35 34 40 1
36 34 41 2
37 35 42 1
38 36 43 1
39 37 44 1
40 37 45 1
41 38 46 1
42 40 47 1
43 40 48 1
44 44 49 1
45 44 50 1
46 44 51 1 #Up
47 47 52 1 #Up
48 47 53 1
49 48 54 1
50 49 55 1
51 50 56 1
52 52 57 1
53 52 58 2
54 53 59 1
55 54 60 1
56 54 61 1
57 55 62 1
58 55 63 1 #Down
59 55 64 1 #Up
60 56 65 1 #Up
61 66 57 1 #Up
62 62 67 1 #Up
63 63 68 1
64 63 69 2
65 66 70 1
66 66 71 1
67 70 72 1 #Down
68 70 73 1
69 71 74 1
70 75 72 1 #Down
71 73 76 1
72 73 77 1 #Up
73 74 78 1 #Up
74 75 79 1
75 75 80 1
76 76 81 1 #Up
77 79 82 1
78 79 83 1 #Up
79 80 84 1
80 82 85 1
81 82 86 1 #Up
82 84 87 1 #Up
83 85 88 1 #Down
84 89 88 1 #Up
85 89 90 1
86 89 91 1
87 90 92 1
88 90 93 1 #Down
89 91 94 1
90 92 95 1
91 92 96 1 #Up
92 95 97 1 #Down
93 41 45 1
94 42 47 1
95 46 49 1
96 54 59 1
97 56 62 1
98 74 76 1
99 84 85 1
100 94 95 1
101 21 67 1 #Up
102 11 97 1 #Up
103 13 15 1
104 81 98 1
105 13 16 1 #Down
106 98 99 1
107 14 17 1
108 99 100 2
109 100 1 1
110 14 18 1 #Up
111 98 101 2
112 18 102 1
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