0 mol 114 unq 0 iso 0 dist 5.87387 11.3694 6.34525 10.1667 5.31367 8.06525 10.6075 6.84011 8.51024 8.809 numMergedOcc 0
1 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 17.222 10.6679 5.85818 24.1732 17.9198 11.7884 7.26955 numMergedOcc 0
2 mol 143 unq 0 iso 0 dist 8.72463 4.88215 8.41611 4.86894 5.44503 6.40901 10.4027 9.14266 5.99865 9.30424 numMergedOcc 0
3 mol 143 unq 1 iso 0 dist 8.72463 8.25783 7.63338 12.3708 6.01455 8.1582 16.1752 7.78652 11.5146 6.46089 numMergedOcc 0
4 mol 143 unq 2 iso 0 dist 8.72463 8.25783 7.63338 4.86894 5.44503 9.40626 10.4027 9.14266 11.2236 9.30424 numMergedOcc 0
5 mol 143 unq 3 iso 0 dist 8.72463 12.956 7.25673 12.3708 6.01455 7.88655 16.1752 7.78652 6.60479 6.46089 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 7.38138 3.97123 7.97543 4.7785 6.29254 8.12589 6.57631 12.1227 7.23332 8.73468 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 7.38138 3.97123 7.97543 4.7785 6.29254 8.12589 8.40891 11.2961 7.89336 9.73927 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 7.34423 3.98367 7.85526 4.79493 6.25747 8.11592 6.56068 12.1516 7.35366 8.73558 numMergedOcc 0
9 mol 150 unq 1 iso 0 dist 7.34423 3.98367 7.85526 4.79493 6.25747 8.11592 8.32178 11.2313 7.86976 9.66129 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 7.78695 6.47213 7.25742 10.7746 4.57561 7.13269 11.6088 8.4858 7.97232 5.9032 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 15.1056 10.0524 9.52987 17.0822 10.6908 11.1881 6.32777 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.05666 6.93447 7.24199 8.15486 5.71262 8.53433 5.76622 8.77999 3.86183 7.33225 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 11.5738 13.0842 9.42618 14.3518 10.784 6.84212 8.81629 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.2527 9.87539 6.66971 11.5738 13.0842 9.42618 10.0472 7.57812 4.77308 6.87131 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 7.2527 9.87539 6.66971 11.5738 13.0842 9.42618 10.0651 8.69104 10.2777 9.69818 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 7.13194 9.87539 7.32982 11.5738 8.85181 9.42618 14.3518 12.6066 6.84212 8.81629 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 7.13194 9.87539 7.32982 11.5738 8.85181 9.42618 10.0472 9.24557 4.77308 6.87131 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 7.13194 9.87539 7.32982 11.5738 8.85181 9.42618 10.0651 12.9364 10.2777 9.69818 numMergedOcc 0
19 mol 238 unq 6 iso 0 dist 9.29203 10.4401 6.66971 16.0336 13.0842 9.42618 17.0895 10.784 6.84212 8.81629 numMergedOcc 0
20 mol 238 unq 7 iso 0 dist 9.29203 10.4401 6.66971 16.0336 13.0842 9.42618 13.6806 7.57812 4.77308 6.87131 numMergedOcc 0
21 mol 238 unq 8 iso 0 dist 9.29203 10.4401 6.66971 16.0336 13.0842 9.42618 16.2617 8.69104 10.2777 9.69818 numMergedOcc 0
22 mol 238 unq 9 iso 0 dist 7.62771 10.4401 6.4398 16.0336 15.3074 9.42618 17.0895 12.2731 6.84212 8.81629 numMergedOcc 0
23 mol 238 unq 10 iso 0 dist 7.62771 10.4401 6.4398 16.0336 15.3074 9.42618 13.6806 10.1217 4.77308 6.87131 numMergedOcc 0
24 mol 238 unq 11 iso 0 dist 7.62771 10.4401 6.4398 16.0336 15.3074 9.42618 16.2617 13.492 10.2777 9.69818 numMergedOcc 0
25 mol 238 unq 12 iso 0 dist 7.80166 10.4401 7.32982 16.0336 8.85181 9.42618 17.0895 12.6066 6.84212 8.81629 numMergedOcc 0
26 mol 238 unq 13 iso 0 dist 7.80166 10.4401 7.32982 16.0336 8.85181 9.42618 13.6806 9.24557 4.77308 6.87131 numMergedOcc 0
27 mol 238 unq 14 iso 0 dist 7.80166 10.4401 7.32982 16.0336 8.85181 9.42618 16.2617 12.9364 10.2777 9.69818 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 15.0738 5.79468 6.39918 10.451 7.08526 6.31909 8.71497 numMergedOcc 0
