0 mol 2 unq 0 iso 0 dist 6.47123 5.5745 4.92096 8.5893 8.798 8.75089 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 6.47123 5.5745 4.92096 8.29974 11.3341 8.39246 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 5.38703 7.46102 7.36147 7.96271 4.94649 4.04644 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 5.38703 9.47227 7.04632 7.96271 4.94649 4.57428 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 5.38703 9.91301 10.1093 7.96271 4.94649 8.85986 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.44869 9.96265 16.087 9.38647 7.07031 14.5995 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 8.87089 7.74197 14.8536 6.64933 9.58585 11.9839 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 8.87089 7.74197 14.8536 8.67727 13.2289 11.2929 numMergedOcc 0
8 mol 88 unq 2 iso 0 dist 8.87089 7.86537 16.4761 6.64933 9.58585 10.6664 numMergedOcc 0
9 mol 88 unq 3 iso 0 dist 8.87089 7.86537 16.4761 8.67727 13.2289 9.259 numMergedOcc 0
10 mol 88 unq 4 iso 0 dist 8.87089 6.35462 7.86667 6.64933 9.58585 4.79268 numMergedOcc 0
11 mol 88 unq 5 iso 0 dist 8.87089 6.35462 7.86667 8.67727 13.2289 6.3984 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.29249 7.5819 9.40813 9.98606 6.82303 5.44942 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.81553 5.17585 4.87668 8.12196 11.1966 6.68847 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.73038 9.50322 5.34829 6.31523 9.11662 10.7358 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.73038 5.82404 9.67676 6.31523 9.11662 5.58281 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 8.78412 6.1835 6.91388 6.09357 8.78326 3.8758 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.74749 9.97921 6.22059 8.99034 4.15457 5.05715 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 8.03695 8.25167 5.00649 8.71322 10.4792 7.61719 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.09291 9.46833 6.21354 7.43598 12.5502 12.6178 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.57666 8.58906 5.34813 9.52193 4.71126 3.98983 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 9.32606 9.66407 14.4797 8.00931 15.2537 4.0303 numMergedOcc 0
22 mol 185 unq 0 iso 0 dist 8.85182 9.878 6.99799 6.83972 3.9773 4.84598 numMergedOcc 0
23 mol 185 unq 1 iso 0 dist 8.85182 9.878 6.99799 6.70069 9.60778 7.73092 numMergedOcc 0
24 mol 185 unq 2 iso 0 dist 5.7065 9.878 12.6202 6.83972 10.6332 4.84598 numMergedOcc 0
25 mol 185 unq 3 iso 0 dist 5.7065 9.878 12.6202 6.70069 6.22797 7.73092 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 9.94957 9.772 17.2234 6.21022 6.85532 12.0749 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 7.8547 9.09967 4.84546 9.35835 3.98475 6.74599 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 7.8547 8.49076 13.2618 9.35835 3.98475 12.292 numMergedOcc 0
