0 mol 8 unq 0 iso 0 dist 9.86938 11.4765 8.94096 15.118 13.7792 6.82379 15.4462 17.0548 8.64248 6.56356 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.16743 12.3138 9.07858 16.9088 15.4959 6.82379 13.8883 15.5373 8.64248 6.56356 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 5.3866 9.82483 11.8248 13.5628 7.05346 7.2725 13.9961 4.3947 8.30653 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.95341 6.49896 9.82483 10.068 13.5628 7.05346 9.46844 13.9961 4.3947 8.30653 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 9.37413 10.8881 8.00865 16.7929 8.66829 8.43325 14.6985 10.3157 9.75022 9.45635 numMergedOcc 0
5 mol 13 unq 1 iso 0 dist 9.18487 10.8881 9.11447 16.7929 14.2112 8.43325 14.6985 17.3812 9.75022 9.45635 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 5.67098 7.39536 5.86571 14.0262 10.9467 6.77886 16.6855 16.2662 10.5332 9.03564 numMergedOcc 0
7 mol 56 unq 1 iso 0 dist 8.58218 11.4735 5.86571 17.7498 10.9467 6.77886 20.8344 16.2662 10.5332 9.03564 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95838 5.47002 5.85818 13.2232 7.36192 7.99857 11.2265 9.08536 6.29394 6.99446 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.95838 5.47002 5.85818 13.3689 10.6679 8.56342 11.2265 9.08536 6.29394 7.64052 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 9.47892 13.8865 5.85818 15.3808 7.36192 7.99857 15.453 9.08536 6.29394 6.99446 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 9.47892 13.8865 5.85818 19.5006 10.6679 8.56342 15.453 9.08536 6.29394 7.64052 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.43335 5.91006 8.1582 11.9443 6.01455 7.63338 5.36037 7.05845 3.75378 7.36975 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 9.43335 5.91006 8.1582 11.9443 6.01455 7.63338 14.1935 10.55 8.4697 5.40637 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 9.43335 10.9939 7.88655 11.9443 6.01455 7.25673 5.36037 7.05845 9.30534 7.36975 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 9.43335 10.9939 7.88655 11.9443 6.01455 7.25673 14.1935 10.55 6.78032 5.40637 numMergedOcc 0
16 mol 143 unq 4 iso 0 dist 9.9492 14.2311 8.1582 13.375 6.01455 7.63338 15.3503 7.05845 3.75378 7.36975 numMergedOcc 0
17 mol 143 unq 5 iso 0 dist 9.9492 14.2311 8.1582 13.375 6.01455 7.63338 15.1125 10.55 8.4697 5.40637 numMergedOcc 0
18 mol 143 unq 6 iso 0 dist 9.9492 9.32969 7.88655 13.375 6.01455 7.25673 15.3503 7.05845 9.30534 7.36975 numMergedOcc 0
19 mol 143 unq 7 iso 0 dist 9.9492 9.32969 7.88655 13.375 6.01455 7.25673 15.1125 10.55 6.78032 5.40637 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 8.46844 6.14702 6.28417 11.7242 6.53652 7.72144 17.7358 14.6576 14.4682 8.33439 numMergedOcc 0
21 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 7.97007 4.57561 7.25742 3.82805 10.7736 5.34453 9.36259 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.08641 7.41978 9.59034 11.5247 10.5203 6.72641 8.74259 12.8056 8.1007 7.05695 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 8.27907 5.77167 6.86795 7.0843 6.05563 6.29367 3.5359 11.2108 6.57708 8.75536 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 8.27907 5.77167 6.86795 7.73315 9.68444 5.76954 3.5359 11.2108 6.57708 7.33709 numMergedOcc 0
25 mol 218 unq 2 iso 0 dist 8.27907 5.77167 6.86795 6.9398 11.4148 9.20961 3.5359 11.2108 6.57708 6.67404 numMergedOcc 0
26 mol 218 unq 3 iso 0 dist 7.90156 10.8118 9.67381 13.162 7.47048 8.06216 17.0986 12.5343 7.4492 7.33709 numMergedOcc 0
27 mol 218 unq 4 iso 0 dist 7.90156 12.2629 6.61099 15.7646 8.36122 6.29367 17.0986 12.5343 6.57708 8.75536 numMergedOcc 0
28 mol 218 unq 5 iso 0 dist 7.90156 12.2629 6.61099 13.162 7.47048 5.76954 17.0986 12.5343 6.57708 7.33709 numMergedOcc 0
29 mol 218 unq 6 iso 0 dist 7.90156 12.2629 6.61099 18.6994 12.7963 9.20961 17.0986 12.5343 6.57708 6.67404 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.94175 11.1472 8.6597 13.9196 10.4664 5.64181 17.7555 14.4363 6.94907 9.08509 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 9.94175 11.1472 8.6597 11.2596 13.3539 7.61393 5.39289 12.841 9.9447 9.06592 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 8.81534 13.5907 8.6597 11.3074 10.4664 5.64181 19.2189 14.4363 6.94907 9.08509 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 8.81534 13.5907 8.6597 14.244 13.3539 7.61393 17.1044 12.841 9.9447 9.06592 numMergedOcc 0
34 mol 238 unq 4 iso 0 dist 9.46582 12.2456 7.61203 12.9412 11.6239 5.52379 18.1502 11.316 6.50998 9.07475 numMergedOcc 0
35 mol 238 unq 5 iso 0 dist 9.46582 12.2456 7.61203 12.9412 11.6239 5.52379 15.9221 9.99105 5.63944 6.99888 numMergedOcc 0
36 mol 238 unq 6 iso 0 dist 9.77231 12.2456 9.47845 12.9412 13.9614 5.52379 18.1502 14.1582 6.50998 9.07475 numMergedOcc 0
37 mol 238 unq 7 iso 0 dist 9.77231 12.2456 9.47845 12.9412 13.9614 5.52379 15.9221 13.7042 5.63944 6.99888 numMergedOcc 0
38 mol 238 unq 8 iso 0 dist 7.96197 9.92633 9.42618 14.6908 15.3074 6.4398 13.216 13.8196 6.22195 8.82351 numMergedOcc 0
39 mol 238 unq 9 iso 0 dist 7.96197 9.92633 9.42618 13.4956 8.85181 7.32982 22.0428 18.3572 13.0611 9.72188 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 9.53092 6.20003 6.39918 11.6963 5.79468 8.55558 12.9171 6.23661 7.32929 5.85442 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 9.53092 6.20003 6.39918 11.6963 5.79468 8.55558 15.0569 9.43105 9.55426 6.95511 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 9.53092 6.20003 6.39918 12.9189 5.31048 8.59697 9.92544 8.84648 4.67584 8.03219 numMergedOcc 0
43 mol 259 unq 3 iso 0 dist 9.53092 6.20003 6.39918 12.9189 5.31048 8.59697 12.9171 6.23661 7.32929 6.9899 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 8.96092 9.93007 7.25677 14.0854 9.92201 6.57903 17.3044 15.7984 14.6871 9.57499 numMergedOcc 0
