0 mol 61 unq 0 iso 0 dist 8.6338 9.22002 11.2947 6.16737 8.44473 6.65721 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 8.6338 7.52103 4.78811 6.16737 8.44473 6.72123 numMergedOcc 0
2 mol 61 unq 2 iso 0 dist 7.31677 8.46556 4.78811 4.90701 8.44473 6.72123 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.82294 8.99491 5.9853 11.9545 9.15386 11.6697 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.33989 9.71952 8.73236 11.9403 7.46657 10.0992 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.57953 7.28257 8.73236 9.03147 7.46657 10.0992 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.73946 5.02717 4.75197 6.75472 7.9258 5.83991 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 5.16531 6.38163 6.13737 10.0961 8.59695 5.83384 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.73038 9.50322 5.34829 5.37072 9.47554 7.11802 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.73038 5.82404 9.67676 5.37072 9.47554 8.00618 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 8.65008 7.26897 11.181 5.5065 6.36439 11.7355 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.63473 8.14096 8.90206 12.9803 9.23645 15.9874 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.13534 7.41378 4.62576 4.3226 7.7544 9.81747 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 5.7065 9.878 12.6202 12.0971 8.8978 21.1212 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 5.7065 9.878 12.6202 4.53126 5.03193 14.0188 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.85777 6.752 12.019 4.2475 6.94789 7.45763 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 5.05912 6.752 4.37383 4.2475 6.23932 7.45763 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 6.60429 8.10287 13.0749 6.8901 6.23932 13.4269 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 6.60429 5.4913 4.37383 6.8901 6.23932 7.45763 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 5.70065 8.62103 5.4508 3.84723 6.13878 6.18308 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 8.09185 5.87223 5.3615 6.89695 9.55058 10.7231 numMergedOcc 0
21 mol 212 unq 1 iso 0 dist 7.27225 8.062 5.3615 13.2173 9.55058 10.7231 numMergedOcc 0
22 mol 212 unq 2 iso 0 dist 8.14212 8.70011 5.3615 7.25611 9.55058 10.7231 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.39553 8.90987 5.03564 3.82437 6.61371 6.84306 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 9.51001 5.66569 10.5269 16.4752 9.44496 15.7308 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 9.51001 5.66569 10.5269 4.15973 7.87233 6.27581 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 5.83514 9.66555 10.3683 5.65577 4.80834 13.9263 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 9.94957 9.772 17.2234 10.4948 6.45326 18.8774 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 7.8547 9.09967 4.84546 4.4049 8.41236 10.3851 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 7.8547 8.49076 13.2618 4.4049 8.41236 12.8531 numMergedOcc 0
