0 mol 0 unq 0 iso 0 dist 7.20999 13.6767 9.19007 7.08361 6.91778 14.0232 11.0785 6.0225 6.94943 12.8524 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 13.6482 7.12508 8.15894 11.2901 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 11.6434 5.11636 8.24948 5.80953 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 11.9824 8.44664 7.6844 11.6434 5.11636 8.24948 12.8213 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 11.6434 5.11636 8.24948 11.7489 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.05602 14.9908 7.26086 11.0132 6.65501 11.2092 9.55337 3.9764 8.75597 4.62494 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.99949 14.8405 9.29384 10.5805 8.70296 10.8127 19.8448 12.6005 6.78801 12.7349 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.99949 14.8405 9.29384 8.98062 9.25558 11.2516 19.8448 12.6005 6.78801 17.5196 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.47675 7.97183 7.86572 9.00056 9.97343 5.38571 13.7901 13.4066 6.77921 6.65731 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 4.02361 9.17787 10.3427 11.27 4.48323 6.07821 12.5346 numMergedOcc 0
10 mol 159 unq 1 iso 0 dist 7.47975 9.78249 7.25742 9.90351 8.4858 7.97232 11.27 4.48323 6.07821 9.35202 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 8.99392 8.24693 6.29877 13.2972 13.9189 9.13027 9.19622 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 7.13441 6.15895 5.10618 5.68701 6.71356 5.90358 13.2972 13.9189 9.13027 11.6352 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 12.5713 6.04871 6.34234 6.22742 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 10.6913 8.04534 7.87972 13.3723 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 9.47932 14.3725 6.29767 9.63106 9.74144 9.75095 13.1493 3.9436 5.50658 12.0526 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 9.47932 14.3725 6.29767 10.6561 8.69988 12.8059 13.1493 3.9436 5.50658 9.10288 numMergedOcc 0
17 mol 212 unq 2 iso 0 dist 9.47932 14.3725 6.29767 15.0782 8.55903 10.7914 13.1493 3.9436 5.50658 6.19798 numMergedOcc 0
18 mol 212 unq 3 iso 0 dist 9.47932 14.3725 6.29767 7.56072 7.15603 9.63281 13.1493 3.9436 5.50658 9.32123 numMergedOcc 0
19 mol 212 unq 4 iso 0 dist 9.47932 11.0448 8.74585 9.63106 9.74144 15.1535 13.1493 3.9436 9.22129 12.0526 numMergedOcc 0
20 mol 212 unq 5 iso 0 dist 9.47932 11.0448 8.74585 10.6561 8.69988 4.21442 13.1493 3.9436 9.22129 9.10288 numMergedOcc 0
21 mol 212 unq 6 iso 0 dist 9.47932 11.0448 8.74585 15.0782 8.55903 6.69225 13.1493 3.9436 9.22129 6.19798 numMergedOcc 0
22 mol 212 unq 7 iso 0 dist 9.47932 11.0448 8.74585 7.56072 7.15603 10.1399 13.1493 3.9436 9.22129 9.32123 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 11.0533 4.48415 6.53286 10.6116 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 4.36832 6.62841 13.537 20.2022 13.5923 8.63072 20.2094 numMergedOcc 0
25 mol 278 unq 1 iso 0 dist 7.58272 12.325 7.67245 4.36832 6.62841 13.537 16.8764 10.0918 7.59696 16.5137 numMergedOcc 0
