0 mol 21 unq 0 iso 0 dist 8.10126 8.90496 9.56047 9.24767 6.95837 3.76294 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.25184 8.44761 16.2151 6.09085 11.1122 5.75753 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.25184 6.81124 13.8355 6.09085 11.1122 5.26311 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 9.43167 8.44761 15.8706 6.09085 13.3205 5.75753 numMergedOcc 0
4 mol 68 unq 3 iso 0 dist 9.43167 6.81124 12.1622 6.09085 13.3205 5.26311 numMergedOcc 0
5 mol 68 unq 4 iso 0 dist 9.69923 6.27321 11.5132 6.72469 9.8551 7.71726 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.53232 9.71247 16.1654 7.21134 15.3628 5.1678 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 8.53232 4.95459 5.45603 7.21134 15.3628 11.1059 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.68652 6.13606 13.2009 8.63204 9.91799 8.92835 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 7.68652 6.13606 13.2009 5.4014 9.70034 5.07553 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.74157 8.64736 13.2031 7.10218 4.69408 12.669 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.94598 6.14674 5.60494 6.99586 5.1119 6.48115 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 9.74069 4.89256 8.67414 6.6014 6.81506 5.91388 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.04346 6.0685 9.57677 9.16579 13.1784 6.42554 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.04346 6.0685 9.57677 8.95209 11.0504 3.87082 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.23909 6.32542 9.83112 9.71147 6.57794 8.8607 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 6.23909 6.32542 9.83112 6.32553 7.41929 5.28417 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 7.94402 5.74541 4.63225 8.56943 14.127 10.2835 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.69185 4.76698 6.93843 8.19223 13.1645 12.3914 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.47768 5.02385 4.99186 9.88022 16.2907 11.7578 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 7.47768 5.02385 4.99186 7.26637 6.39046 4.05042 numMergedOcc 0
21 mol 279 unq 2 iso 0 dist 7.47768 5.02385 4.99186 9.88198 7.51644 9.85432 numMergedOcc 0
22 mol 279 unq 3 iso 0 dist 9.9446 5.02385 8.17282 9.88022 18.2438 11.7578 numMergedOcc 0
23 mol 279 unq 4 iso 0 dist 9.9446 5.02385 8.17282 7.26637 11.5538 4.05042 numMergedOcc 0
24 mol 279 unq 5 iso 0 dist 9.9446 5.02385 8.17282 9.88198 3.75346 9.85432 numMergedOcc 0
