0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.54519 5.50396 7.36323 13.5984 10.4353 9.12854 5.59311 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.77745 5.8503 7.05196 8.6396 6.47509 5.04899 8.78181 3.904 8.87757 5.77929 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 11.6272 5.46578 6.16347 9.34396 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.27137 5.59268 4.79873 10.5993 10.2864 7.57578 7.05148 11.0175 7.92503 6.11127 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 11.6272 5.46578 6.16347 10.8498 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.27137 5.59268 4.79873 8.88413 11.4148 7.17969 7.05148 11.0175 7.92503 5.30154 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.5791 8.28518 9.03572 9.49995 5.88327 9.49454 13.3662 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 13.9545 9.22202 8.83255 9.49995 5.88327 9.49454 12.0666 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 9.70292 5.69671 8.57395 9.65047 14.2178 8.03644 9.49995 5.88327 9.49454 11.4333 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 12.5791 15.917 9.03572 9.49995 3.96826 9.49454 13.3662 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 9.59704 5.69671 9.85409 13.9545 13.7484 8.83255 9.49995 3.96826 9.49454 12.0666 numMergedOcc 0
11 mol 95 unq 5 iso 0 dist 9.59704 5.69671 9.85409 9.65047 8.78079 8.03644 9.49995 3.96826 9.49454 11.4333 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 14.4342 10.4782 6.10456 8.55509 3.92737 4.47349 7.06961 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.3505 4.75138 5.10496 5.9747 3.9764 5.08437 10.9995 3.94967 6.7117 7.06961 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 8.3505 11.3628 5.2571 5.9747 3.9764 6.10456 10.9995 3.94967 4.47349 7.06961 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.29816 14.676 7.54889 16.5524 10.4782 6.10456 12.4401 3.92737 4.47349 7.06961 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.08983 7.1452 7.54889 12.3884 10.4782 6.10456 5.94696 3.92737 4.47349 7.06961 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 6.12348 14.0364 8.80934 10.783 5.70579 5.86073 9.09263 7.1951 8.8822 10.1816 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 6.12348 14.0364 8.80934 10.783 5.70579 5.86073 5.37302 3.84573 9.66219 8.42718 numMergedOcc 0
19 mol 113 unq 2 iso 0 dist 7.2672 12.1308 8.80934 11.0486 5.70579 5.86073 10.1107 7.1951 8.8822 10.1816 numMergedOcc 0
20 mol 113 unq 3 iso 0 dist 7.2672 12.1308 8.80934 11.0486 5.70579 5.86073 8.47541 3.84573 9.66219 8.42718 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 9.55556 7.41373 8.94367 11.9876 6.93712 6.23142 4.57832 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 12.1043 10.8635 6.37586 11.9876 6.93712 6.23142 5.29786 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 11.9876 6.93712 6.23142 5.71679 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 8.78303 6.36794 8.69531 9.55556 7.41373 9.86662 11.9876 6.93712 9.94764 4.57832 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 8.78303 6.36794 8.69531 12.1043 10.8635 9.71307 11.9876 6.93712 9.94764 5.29786 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 16.5098 12.0033 9.87651 9.14629 8.91275 9.67741 13.0123 numMergedOcc 0
27 mol 167 unq 1 iso 0 dist 6.48993 7.91498 7.02548 16.5098 11.6011 9.87651 9.14629 5.95858 9.67741 13.0123 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.41148 4.2475 6.49765 13.2057 10.6504 9.61492 7.23557 9.86388 4.8668 9.13652 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 6.41148 4.2475 6.49765 6.752 8.67921 7.45763 7.23557 9.86388 4.8668 5.8535 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 5.06713 6.8901 6.49765 13.3164 10.6504 9.61492 8.86587 9.86388 4.8668 9.13652 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 5.06713 6.8901 6.49765 5.4913 8.67921 7.45763 8.86587 9.86388 4.8668 5.8535 numMergedOcc 0
32 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 16.8669 13.1538 8.77153 7.81769 3.86668 7.48463 11.8654 numMergedOcc 0
33 mol 223 unq 1 iso 0 dist 9.6936 8.78003 9.33543 13.1127 5.39728 8.6166 7.81769 3.86668 7.48463 6.05524 numMergedOcc 0
34 mol 223 unq 2 iso 0 dist 9.36733 5.33327 9.33543 13.9834 13.1538 8.77153 7.66694 3.86668 7.48463 11.8654 numMergedOcc 0
35 mol 223 unq 3 iso 0 dist 9.36733 5.33327 9.33543 11.478 5.39728 8.6166 7.66694 3.86668 7.48463 6.05524 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 7.13727 12.521 9.72188 9.94315 7.06793 5.72887 20.4128 17.1065 9.24557 14.7883 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.56975 9.18011 9.72188 8.59074 7.06793 5.72887 16.6167 17.1065 9.24557 14.7883 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 8.90398 4.47425 7.08526 8.81835 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 7.72489 12.1767 9.46361 13.6898 12.2293 8.13497 8.90398 4.10176 7.98231 8.41846 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 8.90398 4.10176 7.98231 8.81835 numMergedOcc 0
41 mol 259 unq 3 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 8.90398 4.10176 7.08526 8.81835 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 9.30668 7.8414 8.2734 13.7647 13.8094 7.07965 10.8848 numMergedOcc 0
