0 mol 67 unq 0 iso 0 dist 8.34804 8.39857 14.8076 9.46247 11 8.06806 16.4344 8.64208 22.9686 17.5154 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.34804 8.39857 14.8076 9.46247 11 8.06806 11.9474 7.9572 19.6241 16.1699 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 5.74637 8.87089 6.09578 7.74197 13.1838 14.8536 4.0486 7.76275 11.3747 9.36773 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 5.74637 8.87089 6.09578 7.86537 12.6939 16.4761 4.0486 7.76275 11.3747 8.31336 numMergedOcc 0
4 mol 88 unq 2 iso 0 dist 5.74637 8.87089 6.09578 6.35462 6.63027 7.86667 4.0486 7.76275 11.3747 10.3436 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 7.63904 8.65008 6.12711 7.26897 6.03387 11.181 5.5065 9.04554 6.36439 11.7355 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 7.7013 8.57666 4.40729 8.58906 5.52686 5.34813 12.3666 6.73365 8.84385 12.0591 numMergedOcc 0
7 mol 175 unq 1 iso 0 dist 7.7013 8.57666 4.40729 8.58906 5.52686 5.34813 12.3067 9.45659 9.81041 14.3157 numMergedOcc 0
8 mol 175 unq 2 iso 0 dist 7.7013 8.57666 4.40729 8.58906 5.52686 5.34813 7.28603 9.44856 9.91248 13.1497 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 5.33103 5.70065 9.12311 8.62103 11.5481 5.4508 3.84723 6.53736 6.13878 6.18308 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 9.01301 5.70065 7.75472 8.62103 8.72811 5.4508 3.84723 8.18851 6.13878 6.18308 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 8.20542 9.51001 13.8826 5.66569 10.2557 10.5269 11.2013 9.97357 9.13551 9.99038 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 8.20542 9.51001 13.8826 5.66569 10.2557 10.5269 4.15973 6.36941 7.87233 6.27581 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 6.28023 7.8547 6.75848 9.09967 5.7574 4.84546 4.4049 9.81087 8.41236 10.3851 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 6.28023 7.8547 6.75848 8.49076 7.23876 13.2618 4.4049 9.81087 8.41236 12.8531 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 7.26542 5.10722 11.2254 11.3154 7.13655 15.4843 11.3696 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 7.26542 5.10722 11.2254 11.3154 7.13655 15.4843 11.3696 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 7.26542 5.10722 11.2254 11.3154 7.13655 15.4843 11.3696 numMergedOcc 0
