0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 8.72114 10.1959 5.5683 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 10.3148 10.1959 5.5683 9.97624 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 10.3148 13.9514 5.5683 9.97624 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.6492 7.52933 7.41888 4.70708 8.5404 11.598 9.01548 9.12941 15.1255 6.63839 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.6492 6.55597 8.89681 4.70708 8.5404 11.1095 9.01548 9.12941 13.4321 6.63839 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 6.6492 9.71956 6.97709 4.70708 8.5404 11.6083 9.01548 9.12941 8.84447 6.63839 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 6.6492 7.07751 5.5511 4.70708 8.5404 10.1706 9.01548 9.12941 9.66912 6.63839 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 6.6492 8.23761 4.38027 4.70708 8.5404 11.6932 9.01548 9.12941 13.1117 6.63839 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 6.6492 9.49421 11.7199 4.70708 8.5404 8.53931 9.01548 9.12941 5.38592 6.63839 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 11.7126 9.9928 16.7897 12.13 9.18958 14.889 5.60389 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.72642 9.42082 10.5109 11.7126 9.9928 12.9982 12.13 9.18958 10.1538 5.60389 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 14.2293 11.7884 14.9264 7.26955 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 17.9198 11.7884 14.9264 7.26955 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 5.44503 6.40901 8.18023 9.14266 5.99865 13.1214 9.30424 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.41611 5.40637 6.16103 5.44503 6.40901 7.46803 9.14266 5.99865 4.06908 9.30424 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 7.63338 7.36975 3.75378 6.01455 8.1582 7.05845 7.78652 11.5146 12.207 6.46089 numMergedOcc 0
16 mol 143 unq 3 iso 0 dist 7.63338 7.36975 3.75378 5.44503 9.40626 8.18023 9.14266 11.2236 13.1214 9.30424 numMergedOcc 0
17 mol 143 unq 4 iso 0 dist 7.63338 5.40637 8.4697 6.01455 8.1582 10.55 7.78652 11.5146 10.0079 6.46089 numMergedOcc 0
18 mol 143 unq 5 iso 0 dist 7.63338 5.40637 8.4697 5.44503 9.40626 7.46803 9.14266 11.2236 4.06908 9.30424 numMergedOcc 0
19 mol 143 unq 6 iso 0 dist 7.25673 7.36975 9.30534 6.01455 7.88655 7.05845 7.78652 6.60479 12.207 6.46089 numMergedOcc 0
20 mol 143 unq 7 iso 0 dist 7.25673 5.40637 6.78032 6.01455 7.88655 10.55 7.78652 6.60479 10.0079 6.46089 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 7.25742 9.36259 5.34453 4.57561 7.13269 10.7736 8.4858 7.97232 9.65034 5.9032 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 6.72641 7.05695 8.1007 10.5203 9.59034 12.8056 7.76163 6.71237 3.78314 9.84492 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 13.6975 9.79691 18.9952 17.8873 11.4252 19.6992 9.82588 numMergedOcc 0
24 mol 195 unq 1 iso 0 dist 7.62942 9.03441 8.89297 6.08211 9.79691 12.3988 11.9628 11.4252 9.83517 9.82588 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 15.3074 9.42618 13.8196 12.2731 6.84212 7.7732 8.81629 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 6.4398 8.82351 6.22195 15.3074 9.42618 13.8196 10.1217 4.77308 9.10695 6.87131 numMergedOcc 0
27 mol 238 unq 2 iso 0 dist 6.4398 8.82351 6.22195 15.3074 9.42618 13.8196 13.492 10.2777 14.6929 9.69818 numMergedOcc 0
28 mol 238 unq 3 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 12.6066 6.84212 19.7639 8.81629 numMergedOcc 0
29 mol 238 unq 4 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 9.24557 4.77308 17.1065 6.87131 numMergedOcc 0
30 mol 238 unq 5 iso 0 dist 7.32982 9.72188 13.0611 8.85181 9.42618 18.3572 12.9364 10.2777 21.0268 9.69818 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 7.08526 6.31909 4.47425 8.71497 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.55558 6.95511 9.55426 5.79468 6.39918 9.43105 7.08526 6.31909 4.10176 8.71497 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 8.59697 8.03219 4.67584 5.31048 6.39918 8.84648 10.4552 6.31909 7.57379 8.71497 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 10.4552 6.31909 4.47425 8.71497 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 9.92201 7.25677 15.7984 10.5329 5.43373 16.0346 6.43034 numMergedOcc 0
