0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 15.11 11.887 9.16962 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 19.97 11.887 9.16962 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 18.5268 9.49077 9.83618 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 10.1107 5.24906 6.46761 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.15486 6.58144 6.64012 5.99959 5.11205 7.58407 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.15486 4.98107 9.4099 10.1107 5.24906 9.73139 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.15486 4.98107 9.4099 5.99959 5.11205 6.31428 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 8.52969 9.0406 7.32874 5.99959 6.75888 6.40841 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.52969 4.98107 9.55426 10.1107 13.1021 9.73139 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 8.52969 4.98107 9.55426 5.99959 6.75888 6.31428 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 12.8492 5.3525 8.24062 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 10.0237 5.3525 8.24062 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 12.3867 7.39396 8.76003 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 12.3154 12.4284 8.36431 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 5.89394 6.80709 7.4729 10.2494 6.99832 5.81965 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 5.89394 6.20561 6.82344 10.2494 6.99832 9.70512 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 20.0169 15.209 7.75343 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 9.26343 16.4386 7.47343 24.1237 15.209 7.75343 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 6.06543 5.51609 7.35754 9.91452 5.33327 8.68821 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 17.222 10.6679 9.63176 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 10.4933 4.77464 9.81878 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 9.89595 7.29758 6.27641 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.6406 8.22779 9.8589 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 14.6406 8.22779 7.24908 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 14.6406 10.5631 9.8589 numMergedOcc 0
25 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 14.6406 10.5631 7.24908 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 13.3172 10.5783 8.96511 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 10.5414 9.60512 7.98142 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 13.0459 13.3389 7.37327 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 11.1264 5.4601 7.20046 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 15.1056 10.0524 7.13543 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 9.25528 11.9545 9.15386 11.1948 8.25067 9.6668 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 8.15486 5.71262 8.36822 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 6.83122 6.75833 8.85478 6.74861 6.67959 7.46831 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 10.22 6.7067 6.84247 numMergedOcc 0
35 mol 220 unq 1 iso 0 dist 8.93637 14.8074 9.23153 19.9234 15.9568 6.99002 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 10.7072 12.2813 6.82208 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 6.54661 6.20606 5.38637 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 9.2521 12.8083 6.22714 12.0613 5.17471 7.49471 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 9.2521 10.1821 7.31233 6.54661 10.4664 6.55759 numMergedOcc 0
40 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 8.97261 11.2717 7.02475 numMergedOcc 0
41 mol 238 unq 4 iso 0 dist 9.2521 10.1821 7.31233 13.7887 12.6986 7.67322 numMergedOcc 0
42 mol 238 unq 5 iso 0 dist 9.2521 10.1821 7.31233 12.0613 5.17471 7.19008 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 8.49673 6.10412 7.00034 9.81195 6.26168 7.39747 numMergedOcc 0
44 mol 239 unq 1 iso 0 dist 8.49673 6.10412 7.00034 12.1393 5.39146 8.1777 numMergedOcc 0
45 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 11.6569 9.29921 6.07192 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 18.825 9.37715 7.66365 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 15.0738 11.6195 7.48005 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 9.34738 13.8605 7.84554 15.0738 11.8736 7.48005 numMergedOcc 0
49 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 15.0738 5.79468 7.48005 numMergedOcc 0
50 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 7.3327 6.4102 8.76347 numMergedOcc 0
51 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 14.2443 8.14825 8.8673 numMergedOcc 0
52 mol 282 unq 1 iso 0 dist 7.90792 8.93697 6.33524 14.2443 7.36881 8.8673 numMergedOcc 0
