0 mol 14 unq 0 iso 0 dist 7.04966 5.16461 7.54797 9.55728 8.73627 7.00835 12.4371 9.18933 8.39221 6.38364 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.66311 7.67076 7.54797 4.15151 8.39221 9.18933 8.91266 7.00835 8.73627 6.38364 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.59182 7.92198 9.0224 12.4009 8.21889 10.6667 13.6568 5.5332 13.1633 7.34473 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 8.59182 7.92198 9.0224 12.8701 9.74643 15.1709 13.6568 5.5332 13.1633 8.58044 numMergedOcc 0
4 mol 109 unq 2 iso 0 dist 8.59182 7.92198 9.0224 5.95831 6.86702 10.3273 13.6568 5.5332 13.1633 9.97763 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.24549 10.3859 9.40633 4.99061 6.49205 6.83988 6.85677 5.19198 12.1173 6.18601 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.07294 11.7194 8.60913 13.1243 8.84018 14.8033 15.4604 8.00493 15.397 6.5107 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 7.50126 11.2716 8.60913 15.9524 8.84018 14.8033 12.9713 8.00493 15.397 6.5107 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 5.59682 4.75398 9.8492 6.62991 8.89982 10.035 11.2249 13.2491 13.4078 8.56324 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 7.71277 14.256 9.8492 7.17016 8.89982 10.035 13.9298 13.2491 13.4078 8.56324 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.14441 6.97067 7.69328 13.6129 8.0974 15.6558 18.3231 12.2822 19.6692 6.69288 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 8.14441 6.97067 7.69328 13.6129 8.0974 15.6558 19.4581 12.4338 19.9978 6.43573 numMergedOcc 0
12 mol 178 unq 2 iso 0 dist 8.14441 6.97067 7.69328 13.6129 8.0974 15.6558 17.5964 13.9722 20.7581 7.17202 numMergedOcc 0
13 mol 178 unq 3 iso 0 dist 8.14441 6.97067 7.69328 13.6129 8.0974 15.6558 17.9703 13.5599 19.7487 8.81551 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.81136 16.2407 9.03521 17.404 8.49704 13.0236 18.7061 12.4611 18.3354 9.65138 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 9.81136 16.2407 9.03521 17.404 8.49704 13.0236 17.5046 11.832 19.1405 7.14453 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 9.81136 16.2407 9.03521 17.404 8.49704 13.0236 18.1374 10.644 14.746 8.85478 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.86207 15.8912 9.58724 10.6943 9.8711 14.6296 8.9077 4.90657 7.31105 9.23153 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 7.57712 6.555 9.58724 6.19375 7.31105 4.90657 15.0279 14.6296 9.8711 9.23153 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 7.57712 6.555 9.58724 6.19375 7.31105 4.90657 13.2107 9.52692 12.6756 8.24498 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.47122 8.09748 8.23071 15.4433 9.75313 10.9485 13.3678 6.46679 12.5309 6.61986 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 5.97988 8.60417 9.79842 6.70321 6.08709 6.06244 11.2702 7.85135 12.3897 6.61986 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 6.6537 6.63295 8.23071 4.55824 9.75313 10.9485 7.04127 6.46679 12.5309 6.61986 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 9.08719 7.00684 9.79842 4.55824 6.08709 6.06244 7.04127 7.85135 12.3897 6.61986 numMergedOcc 0
24 mol 224 unq 4 iso 0 dist 7.62593 6.4556 5.90784 11.4653 9.33771 14.2632 4.79841 5.41021 6.56437 8.95269 numMergedOcc 0
25 mol 224 unq 5 iso 0 dist 7.62593 6.4556 5.90784 11.4653 9.33771 14.2632 9.04374 4.91322 9.2491 6.57273 numMergedOcc 0
26 mol 224 unq 6 iso 0 dist 7.62593 6.4556 5.90784 11.4653 9.33771 14.2632 15.1903 12.979 17.4981 5.78342 numMergedOcc 0
27 mol 224 unq 7 iso 0 dist 7.62593 6.4556 5.90784 12.5358 7.39839 13.2364 14.7665 7.65225 12.6878 6.65832 numMergedOcc 0
28 mol 224 unq 8 iso 0 dist 7.62593 6.4556 5.90784 12.5358 7.39839 13.2364 9.04374 4.91322 9.2491 6.60589 numMergedOcc 0
29 mol 224 unq 9 iso 0 dist 7.62593 6.4556 5.90784 12.5358 7.39839 13.2364 15.1903 12.979 17.4981 9.16166 numMergedOcc 0
30 mol 224 unq 10 iso 0 dist 7.62593 7.70922 8.50322 11.4653 9.33771 9.59595 4.79841 5.41021 9.53131 8.95269 numMergedOcc 0
31 mol 224 unq 11 iso 0 dist 7.62593 7.70922 8.50322 11.4653 9.33771 9.59595 9.04374 4.91322 10.7064 6.57273 numMergedOcc 0
32 mol 224 unq 12 iso 0 dist 7.62593 7.70922 8.50322 11.4653 9.33771 9.59595 15.1903 12.979 15.1912 5.78342 numMergedOcc 0
33 mol 224 unq 13 iso 0 dist 7.62593 7.70922 8.50322 12.5358 7.39839 9.40389 14.7665 7.65225 14.2591 6.65832 numMergedOcc 0
34 mol 224 unq 14 iso 0 dist 7.62593 7.70922 8.50322 12.5358 7.39839 9.40389 9.04374 4.91322 10.7064 6.60589 numMergedOcc 0
35 mol 224 unq 15 iso 0 dist 7.62593 7.70922 8.50322 12.5358 7.39839 9.40389 15.1903 12.979 15.1912 9.16166 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.73077 9.58306 6.13752 13.6207 6.77279 6.59107 15.7201 7.55268 9.74679 8.53687 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 8.73077 9.58306 6.13752 13.6207 6.77279 6.59107 11.4871 5.71237 10.8647 8.13497 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 8.73077 9.58306 6.13752 16.6797 9.58006 11.1778 11.4871 5.71237 10.8647 7.88519 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 8.73077 9.58306 6.13752 16.6797 9.58006 11.1778 16.137 9.10984 14.2398 7.84554 numMergedOcc 0
40 mol 259 unq 4 iso 0 dist 8.73077 9.58306 6.13752 16.6797 9.58006 11.1778 16.2919 11.8501 15.0974 7.46176 numMergedOcc 0
41 mol 259 unq 5 iso 0 dist 8.73077 9.58306 6.13752 16.6797 9.58006 11.1778 21.7522 13.9868 18.1936 9.18903 numMergedOcc 0
42 mol 259 unq 6 iso 0 dist 6.76656 9.68247 6.13752 10.908 6.77279 6.59107 14.2826 7.55268 9.74679 8.53687 numMergedOcc 0
43 mol 259 unq 7 iso 0 dist 6.76656 9.68247 6.13752 10.908 6.77279 6.59107 6.96379 5.71237 10.8647 8.13497 numMergedOcc 0
44 mol 259 unq 8 iso 0 dist 6.76656 9.68247 6.13752 12.7595 9.58006 11.1778 6.96379 5.71237 10.8647 7.88519 numMergedOcc 0
45 mol 259 unq 9 iso 0 dist 6.76656 9.68247 6.13752 12.7595 9.58006 11.1778 11.7889 9.10984 14.2398 7.84554 numMergedOcc 0
46 mol 259 unq 10 iso 0 dist 6.76656 9.68247 6.13752 12.7595 9.58006 11.1778 11.1532 11.8501 15.0974 7.46176 numMergedOcc 0
47 mol 259 unq 11 iso 0 dist 6.76656 9.68247 6.13752 12.7595 9.58006 11.1778 17.4423 13.9868 18.1936 9.18903 numMergedOcc 0
48 mol 278 unq 0 iso 0 dist 8.87405 4.98313 5.12827 8.66976 9.82774 9.40662 15.1476 10.5903 13.774 8.44326 numMergedOcc 0
