0 mol 18 unq 0 iso 0 dist 8.24798 6.39307 4.95319 4.25207 6.39243 5.65084 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 6.39307 6.19959 4.25207 9.1715 5.65084 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.66843 8.69574 6.3858 5.68664 9.17045 5.94756 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 6.04611 9.05414 6.9307 7.85236 8.53393 13.2012 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.04611 9.05414 6.9307 9.299 5.57265 11.8007 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.40274 9.54368 5.30951 5.1219 5.90776 7.13008 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.04448 5.33961 10.3972 8.91618 6.78839 11.2061 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.04448 5.33961 10.3972 14.8024 8.02354 14.7009 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.37388 9.79864 7.88845 4.86477 8.97043 9.13312 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.53875 5.56446 9.00263 12.0003 7.97349 14.9404 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 9.39697 9.48766 9.72539 8.95444 8.3705 11.8893 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.32196 9.99194 4.12472 3.59583 7.20244 10.5299 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 5.83646 7.13727 4.48114 5.60375 4.87108 8.69015 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 5.83646 7.13727 4.48114 6.45589 7.64276 9.12776 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.87224 7.63381 8.15025 9.86326 6.83046 6.73665 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 8.63767 9.48105 7.83671 3.78208 7.63152 10.6832 numMergedOcc 0
16 mol 256 unq 0 iso 0 dist 8.88264 7.23526 13.7649 6.4717 5.98967 12.1713 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 4.88541 9.29745 6.24393 4.38226 9.07043 13.5582 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.34154 7.59142 7.51644 10.5081 5.70546 10.2562 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 5.90456 7.59142 5.03816 11.6042 8.68797 6.35028 numMergedOcc 0
