0 mol 1 unq 0 iso 0 dist 8.93702 5.99543 8.56884 11.0126 8.78328 6.09918 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.71628 6.98731 6.4934 6.81416 6.31611 8.72023 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 10.1933 9.16962 8.8533 4.80984 5.69955 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.06918 9.17087 8.33704 4.67358 11.6542 9.31969 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 8.06918 5.33532 7.92394 4.67358 11.6542 6.54023 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 8.56968 12.189 8.33704 9.29779 11.6542 9.31969 numMergedOcc 0
6 mol 70 unq 3 iso 0 dist 8.56968 7.6455 7.92394 9.29779 11.6542 6.54023 numMergedOcc 0
7 mol 70 unq 4 iso 0 dist 7.70428 9.32366 8.33704 13.8586 11.6542 9.31969 numMergedOcc 0
8 mol 70 unq 5 iso 0 dist 7.70428 7.61147 7.92394 13.8586 11.6542 6.54023 numMergedOcc 0
9 mol 70 unq 6 iso 0 dist 7.52623 5.33532 9.93423 4.67358 11.7156 6.54023 numMergedOcc 0
10 mol 70 unq 7 iso 0 dist 7.31655 7.6455 9.93423 9.29779 11.7156 6.54023 numMergedOcc 0
11 mol 70 unq 8 iso 0 dist 5.62294 5.33532 9.34122 4.67358 4.95817 6.54023 numMergedOcc 0
12 mol 70 unq 9 iso 0 dist 7.99569 7.6455 9.34122 9.29779 4.95817 6.54023 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.0405 9.7939 8.72704 18.258 14.6145 9.00544 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.0405 9.7939 8.72704 10.3738 6.00843 7.12017 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 9.6785 9.04668 6.96442 5.36473 7.27945 9.7918 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 6.35364 8.50279 7.75534 12.0053 5.83002 9.46588 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 5.79707 5.56399 6.50241 9.5853 4.34089 8.56355 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.20864 13.9921 6.95408 11.3294 4.05564 6.96521 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 8.87757 11.4265 9.59333 16.0194 10.3763 8.0144 numMergedOcc 0
20 mol 209 unq 0 iso 0 dist 5.20111 5.35615 9.52027 6.43914 9.02883 8.41195 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 12.3162 7.54397 9.007 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.62086 13.6971 9.68513 10.0081 6.48619 6.4398 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 6.62086 7.30165 9.29858 10.0081 6.48619 7.32982 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 6.50118 11.0996 9.68513 5.5826 6.48619 6.4398 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 6.50118 5.18833 9.29858 5.5826 6.48619 7.32982 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 6.19297 11.4969 9.90142 10.8422 5.8333 6.66971 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 6.19297 6.33281 5.9216 10.8422 5.8333 6.4398 numMergedOcc 0
28 mol 238 unq 6 iso 0 dist 9.3099 11.1632 9.90142 5.5826 5.8333 6.66971 numMergedOcc 0
29 mol 238 unq 7 iso 0 dist 9.3099 11.0996 5.9216 5.5826 5.8333 6.4398 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 8.39127 5.8982 8.50864 9.97871 6.53154 6.17052 numMergedOcc 0
31 mol 248 unq 1 iso 0 dist 7.96942 7.63032 8.50864 9.08064 6.53154 6.17052 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 7.83041 12.3321 7.19465 19.0713 14.5407 7.77998 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 9.00781 6.3139 9.05222 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 8.8896 7.62102 6.50589 10.3574 12.6784 7.4099 numMergedOcc 0
