0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 5.99459 6.88805 6.12483 7.78327 13.5229 3.54153 7.00508 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 8.23075 6.7846 12.2271 10.1923 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 4.7841 8.03955 12.6431 9.92483 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 8.23075 6.7846 12.2271 9.24731 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 4.7841 8.03955 12.6431 3.53396 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 8.23075 6.7846 12.2839 10.1923 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 4.7841 8.03955 6.22954 9.92483 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 8.23075 6.7846 12.2839 9.24731 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 4.7841 8.03955 6.22954 3.53396 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 7.31767 8.6653 5.64303 7.6114 6.10919 10.8122 7.03372 7.23535 10.3493 9.34154 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.03987 8.6653 5.82503 7.6114 5.86705 10.8122 7.03372 9.92243 10.3493 9.34154 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 7.17488 4.59417 8.76454 10.5853 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 7.17488 4.59417 8.76454 5.11422 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 7.12321 4.27726 14.005 4.86198 5.21565 13.6186 4.38233 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 7.12321 7.47371 14.005 4.86198 10.7434 13.6186 4.38233 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 7.7068 6.36397 4.93735 8.04242 5.76272 13.5973 11.1225 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 7.7068 4.41789 4.93735 8.04242 8.18948 13.5973 11.1225 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 7.7068 5.59906 4.93735 8.04242 14.113 13.5973 11.1225 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 8.80934 5.70579 7.1951 7.02367 5.37655 5.40648 3.52445 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 8.80934 5.70579 7.1951 9.30832 5.46207 15.5674 10.4701 numMergedOcc 0
20 mol 113 unq 2 iso 0 dist 5.86073 9.66219 8.42718 8.80934 5.70579 3.84573 7.02367 5.37655 3.52111 3.52445 numMergedOcc 0
21 mol 113 unq 3 iso 0 dist 5.86073 9.66219 8.42718 8.80934 5.70579 3.84573 9.30832 5.46207 13.7232 10.4701 numMergedOcc 0
22 mol 122 unq 0 iso 0 dist 8.37808 8.88537 5.0355 6.00603 6.15636 6.29388 4.42563 7.90729 8.90201 3.17342 numMergedOcc 0
23 mol 122 unq 1 iso 0 dist 8.37808 9.23819 7.39059 6.00603 6.15636 9.83972 4.42563 7.90729 11.3935 3.17342 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 7.36975 13.1926 12.207 8.99891 9.14188 14.3396 14.4074 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 8.99891 9.14188 14.3396 5.94217 numMergedOcc 0
26 mol 143 unq 2 iso 0 dist 5.99315 8.91301 5.20762 7.36975 13.1926 14.7271 8.99891 9.14188 12.476 14.4074 numMergedOcc 0
27 mol 143 unq 3 iso 0 dist 5.99315 8.91301 5.20762 5.40637 7.39837 9.05366 8.99891 9.14188 12.476 5.94217 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 9.29945 9.39352 7.27408 9.63417 11.0361 6.43397 9.19156 13.8965 11.8094 14.8784 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 8.29467 6.13927 3.63671 5.09584 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.81386 5.94469 7.77758 9.01624 5.71898 11.9796 8.29467 6.13927 3.63671 11.4645 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 8.29467 6.13927 3.63671 11.5807 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 8.29467 13.2274 3.63671 5.09584 numMergedOcc 0
33 mol 181 unq 4 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 8.29467 13.2274 3.63671 11.4645 numMergedOcc 0
34 mol 181 unq 5 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 8.29467 13.2274 3.63671 11.5807 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 9.61492 4.8668 9.13652 6.49765 10.6504 9.86388 9.31158 10.8636 9.43113 6.49396 numMergedOcc 0
36 mol 205 unq 1 iso 0 dist 7.45763 4.8668 5.8535 6.49765 8.67921 9.86388 9.31158 5.42503 9.43113 6.49396 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 6.71524 5.10213 11.2243 8.25985 4.04428 12.159 3.43286 numMergedOcc 0
38 mol 232 unq 1 iso 0 dist 8.27212 9.05071 8.80479 6.71524 5.10213 11.2243 9.27788 4.22149 8.36223 5.45761 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 8.2734 7.07965 10.8848 7.20674 7.8414 13.8094 6.69619 4.02751 8.31265 8.76061 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 8.2734 7.07965 10.8848 7.20674 7.8414 13.8094 4.49592 5.99797 5.06937 9.42231 numMergedOcc 0
41 mol 292 unq 2 iso 0 dist 8.2734 7.07965 10.8848 8.38121 14.179 13.8468 6.69619 4.02751 8.31265 12.1704 numMergedOcc 0
42 mol 292 unq 3 iso 0 dist 8.2734 7.07965 10.8848 8.38121 14.179 13.8468 4.49592 5.99797 5.06937 11.9106 numMergedOcc 0
