0 mol 7 unq 0 iso 0 dist 9.8592 7.91041 9.67498 10.8066 15.0231 9.85726 5.93318 15.2305 11.5784 9.60499 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.96502 5.25196 8.30431 5.50504 6.32949 9.62468 7.62418 9.59947 10.7369 6.65721 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 7.96502 5.25196 8.30431 5.50504 6.32949 9.62468 6.53977 12.3891 11.5608 6.72123 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 7.96502 6.97911 4.628 5.50504 6.32949 5.92705 7.62418 9.59947 5.4671 6.65721 numMergedOcc 0
4 mol 61 unq 3 iso 0 dist 7.96502 6.97911 4.628 5.50504 6.32949 5.92705 6.53977 12.3891 10.1513 6.72123 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.98532 5.38868 8.67865 8.3558 5.1767 4.98104 15.1474 10.9081 10.7572 7.4729 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.98532 5.38868 8.67865 8.3558 5.1767 4.98104 8.66262 10.3582 5.50764 6.82344 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 6.7095 10.8385 5.43401 8.84131 7.49575 9.10229 8.90571 9.0361 8.17186 7.36792 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.15949 5.67441 5.31281 6.71345 5.24877 8.42445 6.49725 9.24515 7.18757 7.5732 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.47105 10.6706 7.50126 16.0647 15.9524 8.84018 11.2059 12.9713 8.00493 6.5107 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 9.3355 6.1397 8.14441 8.04723 13.6129 8.0974 14.4072 18.3231 12.2822 6.69288 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 9.3355 6.1397 8.14441 8.04723 13.6129 8.0974 13.0519 19.4581 12.4338 6.43573 numMergedOcc 0
12 mol 178 unq 2 iso 0 dist 9.3355 6.1397 8.14441 8.04723 13.6129 8.0974 10.5681 17.5964 13.9722 7.17202 numMergedOcc 0
13 mol 178 unq 3 iso 0 dist 9.3355 6.1397 8.14441 8.04723 13.6129 8.0974 9.1499 17.9703 13.5599 8.81551 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.614 9.24302 8.78709 10.043 9.49952 6.00053 11.7245 16.4033 11.1879 8.03334 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.60195 8.66923 7.86207 11.8036 10.6943 9.8711 12.0174 8.9077 4.90657 9.23153 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.87359 5.3178 7.86207 11.1368 10.6943 9.8711 9.89208 8.9077 4.90657 9.23153 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 7.16232 10.121 9.174 6.90245 7.93809 9.72526 5.3674 6.40592 4.86437 7.4631 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 6.03414 5.49004 8.87405 9.91518 8.66976 9.82774 12.8387 15.1476 10.5903 8.44326 numMergedOcc 0
