0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 10.4149 6.75943 5.41726 18.5268 9.49077 9.83618 13.07 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 7.43516 9.08221 4.00553 10.1107 5.24906 6.46761 10.1478 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.15486 6.58144 6.64012 7.43516 9.08221 4.00553 5.99959 5.11205 7.58407 10.7327 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.15486 4.98107 9.4099 7.43516 9.08221 8.55984 10.1107 5.24906 9.73139 10.1478 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 7.15486 4.98107 9.4099 7.43516 9.08221 8.55984 5.99959 5.11205 6.31428 10.7327 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 4.57682 9.36001 5.31547 12.3154 12.4284 8.36431 13.3865 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 10.9005 7.82475 5.9143 20.0169 15.209 7.75343 11.3652 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 9.06539 5.35782 5.47563 20.0169 15.209 7.75343 12.1809 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 16.0043 7.82475 5.9143 24.1237 15.209 7.75343 11.3652 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 14.1132 5.35782 5.47563 24.1237 15.209 7.75343 12.1809 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 13.4766 7.64052 9.68677 17.222 10.6679 9.63176 9.08536 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 5.23156 7.06025 6.42973 13.3172 10.5783 8.96511 12.6109 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.83122 6.75833 8.85478 12.8946 7.46481 11.1534 6.74861 6.67959 7.46831 8.70987 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 5.85969 5.56538 6.84862 10.7072 12.2813 6.82208 11.8745 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 9.34147 7.48954 9.53117 10.7072 12.2813 6.82208 12.9858 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.2521 12.8083 6.22714 12.95 9.08509 12.7938 12.0613 5.17471 7.49471 5.43613 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.2521 10.1821 7.31233 12.95 9.08509 11.0772 6.54661 10.4664 6.55759 14.4363 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 9.2521 10.1821 7.31233 12.95 9.08509 11.0772 8.97261 11.2717 7.02475 10.529 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 12.95 9.08509 11.0772 13.7887 12.6986 7.67322 9.99105 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 9.2521 10.1821 7.31233 12.95 9.08509 11.0772 12.0613 5.17471 7.19008 5.43613 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 9.41512 9.46361 11.6988 15.0738 11.6195 7.48005 9.43105 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.47382 13.8605 7.46176 11.8307 5.85442 10.067 15.0738 5.79468 7.48005 6.23661 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 9.41512 6.95511 11.6988 15.0738 5.79468 7.48005 9.43105 numMergedOcc 0
