0 mol 54 unq 0 iso 0 dist 4.54652 7.72019 9.18921 10.6473 10.4186 9.63616 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 7.42848 7.72019 7.25076 10.6473 6.10175 9.63616 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 5.16082 7.96096 4.41909 13.2538 10.7656 9.18651 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 6.28799 7.63277 4.41909 10.4878 10.7656 9.18651 numMergedOcc 0
4 mol 63 unq 2 iso 0 dist 9.49815 6.29504 4.41909 6.03318 10.7656 9.18651 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 5.69494 8.92684 8.70456 6.54022 9.10857 4.77363 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 7.87411 8.35659 10.9966 5.45595 12.4293 7.70636 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 7.87411 8.35659 10.9966 11.3266 14.1438 6.82267 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 7.42373 9.38079 11.0219 13.1645 17.9497 8.12319 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 7.42373 9.38079 11.0219 13.3983 13.5796 9.04366 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.24258 7.9487 5.51548 6.99583 5.50364 8.44004 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.55246 7.9487 5.61122 6.99583 8.7301 8.44004 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.51789 8.37864 12.9063 7.02003 10.5337 9.08818 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 5.51789 8.35757 10.6883 7.02003 10.5337 5.70056 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 5.63228 8.37864 6.88205 7.02003 11.1565 9.08818 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 5.63228 8.35757 9.87731 7.02003 11.1565 5.70056 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.23266 8.82242 3.79439 7.81196 4.46314 4.76819 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 8.13647 6.78119 13.5436 12.3671 18.1828 8.3597 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 8.73109 6.76491 12.1988 6.98305 13.9472 8.57848 numMergedOcc 0
19 mol 265 unq 1 iso 0 dist 7.43195 6.76491 4.75288 6.98305 5.10595 8.57848 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.81682 8.90946 17.952 5.65829 15.4151 5.35362 numMergedOcc 0
21 mol 278 unq 1 iso 0 dist 9.81682 8.59795 15.7213 5.65829 15.4151 8.22364 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.6829 8.42001 13.9634 14.3439 21.3784 9.57637 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.6829 8.42001 13.9634 14.3439 21.3784 9.57637 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 7.6829 8.42001 13.9634 14.3439 21.3784 9.57637 numMergedOcc 0
