0 mol 13 unq 0 iso 0 dist 8.5226 6.94397 7.44816 6.54276 6.00107 6.791 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.45034 13.3556 9.4228 12.5691 6.29237 4.95725 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 8.45034 13.3556 9.4228 16.0182 9.24286 5.84217 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.9399 4.47138 9.854 9.29705 8.52567 9.34239 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.9399 4.16095 8.23749 9.29705 8.52567 5.79698 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.70787 10.9651 5.62694 10.0714 8.31317 6.41115 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 8.83855 8.49615 7.02709 6.31693 6.71858 10.1994 numMergedOcc 0
7 mol 107 unq 1 iso 0 dist 8.83855 8.49615 7.02709 13.1278 9.37159 12.9752 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 9.10985 8.29763 9.13454 4.76518 9.78419 5.7894 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.43487 11.0812 5.82487 13.1684 6.41507 8.1057 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.43487 11.0812 5.82487 8.60362 6.03035 8.01602 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 9.97052 8.67499 5.82487 9.20774 6.41507 8.1057 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 9.97052 8.67499 5.82487 5.56591 6.03035 8.01602 numMergedOcc 0
13 mol 113 unq 4 iso 0 dist 7.3324 5.19652 5.82487 10.6893 6.41507 8.1057 numMergedOcc 0
14 mol 113 unq 5 iso 0 dist 7.3324 5.19652 5.82487 12.0012 6.03035 8.01602 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 6.29634 12.1192 8.20715 5.92411 4.22806 6.20019 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 6.29634 5.3154 6.16081 5.92411 4.22806 4.39676 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 9.91321 8.60326 8.82676 6.4041 6.81354 9.95656 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 9.91321 11.4002 8.17522 6.4041 6.81354 8.95351 numMergedOcc 0
19 mol 127 unq 2 iso 0 dist 9.91321 11.7596 8.14341 6.4041 6.81354 6.15686 numMergedOcc 0
20 mol 127 unq 3 iso 0 dist 9.91321 7.698 6.54744 6.4041 6.81354 4.89159 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 4.80778 13.46 8.75049 3.84992 5.47256 13.7612 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 6.58803 13.7612 8.75049 5.68827 5.47256 13.7612 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 9.96967 12.9605 8.75049 10.124 5.47256 13.7612 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 6.31523 4.64588 8.75049 11.5628 5.47256 13.7612 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 9.18848 11.6657 9.53821 6.34731 8.41697 5.93762 numMergedOcc 0
26 mol 158 unq 1 iso 0 dist 9.18848 11.6657 9.53821 15.1374 9.2016 6.55301 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.33272 14.7094 9.83935 3.6848 7.54492 11.0961 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 9.7384 4.53957 8.32738 8.86056 9.56078 11.5986 numMergedOcc 0
29 mol 198 unq 1 iso 0 dist 8.89259 7.58207 8.32738 5.70176 9.56078 11.5986 numMergedOcc 0
30 mol 198 unq 2 iso 0 dist 9.95733 10.9414 8.32738 9.65484 9.56078 11.5986 numMergedOcc 0
31 mol 198 unq 3 iso 0 dist 9.72176 10.1361 8.32738 5.64576 9.56078 11.5986 numMergedOcc 0
32 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 8.72864 6.44817 11.3569 numMergedOcc 0
33 mol 219 unq 1 iso 0 dist 8.15287 5.0241 7.68645 12.8837 9.36547 9.13819 numMergedOcc 0
34 mol 219 unq 2 iso 0 dist 8.15287 4.36122 5.75017 8.72864 6.44817 4.78402 numMergedOcc 0
35 mol 219 unq 3 iso 0 dist 8.15287 4.36122 5.75017 12.8837 9.36547 11.6561 numMergedOcc 0
36 mol 219 unq 4 iso 0 dist 8.15287 14.0703 6.12768 8.72864 6.44817 8.8527 numMergedOcc 0
37 mol 219 unq 5 iso 0 dist 8.15287 14.0703 6.12768 12.8837 9.36547 11.1178 numMergedOcc 0
38 mol 219 unq 6 iso 0 dist 8.15287 13.25 7.19159 8.72864 6.44817 11.4193 numMergedOcc 0
39 mol 219 unq 7 iso 0 dist 8.15287 13.25 7.19159 12.8837 9.36547 4.72332 numMergedOcc 0
40 mol 219 unq 8 iso 0 dist 8.72341 14.1934 7.68645 12.6546 6.44817 11.3569 numMergedOcc 0
41 mol 219 unq 9 iso 0 dist 8.72341 14.1934 7.68645 8.54055 9.36547 9.13819 numMergedOcc 0
42 mol 219 unq 10 iso 0 dist 8.72341 13.288 5.75017 12.6546 6.44817 4.78402 numMergedOcc 0
43 mol 219 unq 11 iso 0 dist 8.72341 13.288 5.75017 8.54055 9.36547 11.6561 numMergedOcc 0
44 mol 219 unq 12 iso 0 dist 8.72341 4.95329 6.12768 12.6546 6.44817 8.8527 numMergedOcc 0
45 mol 219 unq 13 iso 0 dist 8.72341 4.95329 6.12768 8.54055 9.36547 11.1178 numMergedOcc 0
46 mol 219 unq 14 iso 0 dist 8.72341 4.26247 7.19159 12.6546 6.44817 11.4193 numMergedOcc 0
47 mol 219 unq 15 iso 0 dist 8.72341 4.26247 7.19159 8.54055 9.36547 4.72332 numMergedOcc 0
48 mol 283 unq 0 iso 0 dist 7.81415 11.0354 8.25636 3.77125 8.47034 9.63618 numMergedOcc 0
49 mol 283 unq 1 iso 0 dist 7.81415 11.0354 8.25636 8.36144 8.57491 9.82243 numMergedOcc 0
50 mol 287 unq 0 iso 0 dist 6.08044 9.67708 9.29241 10.8556 9.62446 14.0303 numMergedOcc 0
51 mol 287 unq 1 iso 0 dist 6.08044 9.67708 9.29241 10.4719 9.99681 18.685 numMergedOcc 0
52 mol 287 unq 2 iso 0 dist 8.8956 15.5716 9.29241 12.7029 9.62446 14.0303 numMergedOcc 0
53 mol 287 unq 3 iso 0 dist 8.8956 15.5716 9.29241 5.57075 9.99681 18.685 numMergedOcc 0
54 mol 288 unq 0 iso 0 dist 6.08044 9.67708 9.29241 10.8556 9.62446 14.0303 numMergedOcc 0
55 mol 288 unq 1 iso 0 dist 6.08044 9.67708 9.29241 10.4719 9.99681 18.685 numMergedOcc 0
56 mol 288 unq 2 iso 0 dist 8.8956 15.5716 9.29241 12.7029 9.62446 14.0303 numMergedOcc 0
57 mol 288 unq 3 iso 0 dist 8.8956 15.5716 9.29241 5.57075 9.99681 18.685 numMergedOcc 0
58 mol 289 unq 0 iso 0 dist 6.08044 9.67708 9.29241 10.8556 9.62446 14.0303 numMergedOcc 0
59 mol 289 unq 1 iso 0 dist 6.08044 9.67708 9.29241 10.4719 9.99681 18.685 numMergedOcc 0
60 mol 289 unq 2 iso 0 dist 8.8956 15.5716 9.29241 12.7029 9.62446 14.0303 numMergedOcc 0
61 mol 289 unq 3 iso 0 dist 8.8956 15.5716 9.29241 5.57075 9.99681 18.685 numMergedOcc 0
