0 mol 54 unq 0 iso 0 dist 6.50287 6.46263 5.38429 7.51978 11.6633 9.65953 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.05107 8.29606 5.41452 9.99643 9.19693 6.63565 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 7.05107 8.09075 8.1605 9.99643 9.19693 9.0032 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.3931 8.61203 10.0484 6.27528 6.08842 6.77896 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 6.17698 9.23907 7.45052 7.28711 3.5994 5.27581 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.81202 7.3098 5.80382 5.09688 8.71142 5.06206 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 9.27056 9.90038 5.80382 9.91446 6.27843 11.7157 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 9.27056 9.90038 5.80382 9.26343 8.71142 5.06206 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 5.09936 9.66944 10.591 5.94478 6.17691 9.57454 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 6.65267 9.06392 9.1432 8.38646 13.7859 16.5045 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 6.55342 9.06392 6.82442 8.38646 12.4582 16.5045 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.43061 7.65424 12.4037 4.93035 7.862 4.93029 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.43061 7.65424 12.4037 9.75558 5.64577 10.28 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 8.43061 6.71654 6.32248 4.93035 7.862 4.37081 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 8.43061 6.71654 6.32248 9.75558 5.64577 6.23566 numMergedOcc 0
15 mol 153 unq 0 iso 0 dist 6.81821 6.19646 10.4842 9.79001 5.55828 10.2323 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 5.36359 7.62006 6.25478 4.93984 6.7811 7.01116 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.58113 8.46429 4.88655 5.63906 5.58668 7.37734 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 7.18149 9.66622 5.64971 6.64506 4.21235 9.06228 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.17498 5.08722 12.0387 9.40939 12.2488 6.62289 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 8.17498 5.08722 12.0387 9.06306 17.0455 5.69131 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 9.87896 8.84212 12.6492 6.93507 7.61942 5.0425 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 9.87896 8.84212 12.6492 6.42827 5.09262 12.6924 numMergedOcc 0
23 mol 249 unq 2 iso 0 dist 9.87896 7.10933 9.85936 6.93507 7.61942 6.45919 numMergedOcc 0
24 mol 249 unq 3 iso 0 dist 9.87896 7.10933 9.85936 6.42827 5.09262 8.71871 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.39418 7.26294 8.71837 7.28096 6.27066 11.2095 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.39418 7.26294 8.71837 7.28096 6.27066 11.2095 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.39418 7.26294 8.71837 7.28096 6.27066 11.2095 numMergedOcc 0
