0 mol 9 unq 0 iso 0 dist 7.9944 8.48677 9.06304 5.06358 7.032 11.3467 13.4295 14.1443 8.59513 17.5185 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.9944 8.48677 9.06304 5.06358 7.032 11.3467 13.4414 14.972 6.59312 17.3797 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 4.93188 8.70827 9.75636 12.3067 9.24958 9.12854 13.0224 13.5086 8.67426 10.0711 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.24958 9.12854 9.75636 12.3067 4.93188 8.70827 10.0711 13.5086 8.67426 13.0224 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.88354 5.59328 8.53212 4.50554 7.89665 10.0186 6.54016 11.9789 7.54574 8.13736 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.88354 5.59328 8.53212 7.40461 5.39354 10.3766 6.54016 11.9789 7.54574 11.1699 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.88354 5.59328 8.53212 7.72877 5.74854 7.5242 6.54016 11.9789 7.54574 11.2206 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 5.88354 5.59328 8.53212 10.51 8.76566 15.4911 6.54016 11.9789 7.54574 14.6418 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 5.88354 5.59328 8.53212 13.5683 8.8368 17.0991 6.54016 11.9789 7.54574 18.7713 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 5.74854 7.5242 8.53212 7.72877 5.88354 5.59328 11.2206 11.9789 7.54574 6.54016 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 5.74854 7.5242 8.53212 11.0242 7.89665 10.0186 11.2206 11.9789 7.54574 8.13736 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 5.74854 7.5242 8.53212 5.09649 5.39354 10.3766 11.2206 11.9789 7.54574 11.1699 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 5.74854 7.5242 8.53212 11.9511 8.76566 15.4911 11.2206 11.9789 7.54574 14.6418 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 5.74854 7.5242 8.53212 11.569 8.8368 17.0991 11.2206 11.9789 7.54574 18.7713 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 6.21253 6.69515 11.0743 6.45283 10.8548 9.38036 11.8444 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.83844 9.02318 13.4961 4.73245 12.1586 9.17462 11.5421 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 9.74542 9.91993 7.23332 6.83844 9.02318 13.4961 11.5545 11.3234 8.74878 15.3655 numMergedOcc 0
17 mol 148 unq 2 iso 0 dist 9.74542 9.91993 7.23332 8.72919 7.97543 12.1227 4.73245 12.1586 9.17462 11.7896 numMergedOcc 0
18 mol 148 unq 3 iso 0 dist 9.74542 9.91993 7.23332 8.72919 7.97543 12.1227 11.5545 11.3234 8.74878 10.2375 numMergedOcc 0
19 mol 148 unq 4 iso 0 dist 9.74542 6.22055 7.89336 6.83844 9.02318 10.8708 4.73245 12.1586 5.75959 11.5421 numMergedOcc 0
20 mol 148 unq 5 iso 0 dist 9.74542 6.22055 7.89336 8.72919 7.97543 11.2961 4.73245 12.1586 5.75959 11.7896 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 8.77324 7.85526 12.1516 4.73768 12.0071 9.01668 11.8945 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 8.77324 7.85526 12.1516 11.5728 11.3798 8.74018 10.2651 numMergedOcc 0
23 mol 150 unq 2 iso 0 dist 9.6606 9.96691 7.35366 6.98865 8.94552 13.6809 4.73768 12.0071 9.01668 11.6881 numMergedOcc 0
24 mol 150 unq 3 iso 0 dist 9.6606 9.96691 7.35366 6.98865 8.94552 13.6809 11.5728 11.3798 8.74018 15.4556 numMergedOcc 0
25 mol 150 unq 4 iso 0 dist 9.6606 6.14675 7.86976 8.77324 7.85526 11.2313 4.73768 12.0071 5.4798 11.8945 numMergedOcc 0
26 mol 150 unq 5 iso 0 dist 9.6606 6.14675 7.86976 6.98865 8.94552 10.9703 4.73768 12.0071 5.4798 11.6881 numMergedOcc 0
27 mol 150 unq 6 iso 0 dist 9.6606 9.24244 11.8012 8.77324 7.85526 15.2191 4.73768 12.0071 6.32391 11.8945 numMergedOcc 0
28 mol 150 unq 7 iso 0 dist 9.6606 9.24244 11.8012 6.98865 8.94552 14.9682 4.73768 12.0071 6.32391 11.6881 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 6.51749 8.90963 13.0913 10.1912 7.20392 18.0578 11.618 17.8064 9.20617 21.3999 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 8.0179 8.12346 12.0009 12.8006 12.7017 8.43182 14.1924 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 14.6506 8.83356 12.645 12.8006 12.7017 8.43182 19.6676 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 6.26839 8.65535 5.92931 8.48054 8.2654 13.9101 12.8006 12.7017 8.43182 18.7581 numMergedOcc 0
33 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 11.6493 9.18635 16.2739 4.27652 5.20846 8.78623 9.65062 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 7.38516 8.44861 12.3113 4.30308 5.19567 7.13824 9.96193 numMergedOcc 0
35 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 12.1984 7.75722 12.0305 4.67058 10.0126 7.26232 16.4686 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 9.1925 9.63959 4.22544 4.26007 8.15467 10.3917 4.83605 9.12447 9.36974 5.82277 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 6.70815 7.21311 8.10604 7.26417 7.99477 11.2102 11.9728 16.5562 9.36974 17.0297 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 9.26354 16.4866 8.1769 9.33681 numMergedOcc 0
39 mol 278 unq 1 iso 0 dist 7.67245 6.62841 13.537 5.74345 9.12395 11.3027 5.33325 12.4248 7.1656 5.70242 numMergedOcc 0
