0 mol 10 unq 0 iso 0 dist 7.21183 3.72013 6.7221 3.69246 7.30932 5.66127 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.68877 10.4051 5.46305 5.22301 9.36493 13.3443 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 5.68877 10.4051 5.46305 9.36704 9.0665 9.4154 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 5.68877 10.4051 5.46305 12.1168 7.07773 4.24673 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 6.30541 4.16985 8.27987 3.44879 5.89913 6.07306 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 6.14602 9.64152 8.27987 3.76713 5.89913 6.07306 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.62336 7.22813 8.45052 18.0168 9.13024 14.1026 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.96066 9.09552 6.09964 5.73969 4.5892 3.40476 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.18252 8.69431 7.03298 3.8493 5.85622 7.84171 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 7.55531 7.15602 7.03298 3.78499 5.85622 7.84171 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 4.69926 4.49127 6.82882 8.8615 8.12319 5.57368 numMergedOcc 0
11 mol 172 unq 0 iso 0 dist 8.2809 5.63865 7.40111 8.78717 7.3485 8.97614 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.43256 12.0623 7.7209 10.3387 7.19751 3.46183 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.14202 9.05904 7.7209 7.28678 7.19751 3.46183 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 7.18997 8.57106 9.53279 3.82689 7.35584 10.0736 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.54588 16.6108 9.3959 15.1218 9.08818 5.18849 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.54588 16.6108 9.3959 4.77079 7.93563 14.5433 numMergedOcc 0
17 mol 186 unq 2 iso 0 dist 8.54588 16.6108 9.3959 7.71219 5.70056 10.0163 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 9.27027 12.7977 6.83847 11.7751 8.81508 5.43533 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 7.87058 5.90127 6.83847 8.91326 8.81508 5.43533 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 6.23198 10.7811 9.16717 3.43711 4.20369 7.79959 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 6.23198 10.7811 9.16717 5.84323 6.4165 8.05584 numMergedOcc 0
22 mol 260 unq 2 iso 0 dist 8.82216 15.3593 9.16717 7.63469 4.20369 7.79959 numMergedOcc 0
23 mol 260 unq 3 iso 0 dist 8.82216 15.3593 9.16717 8.31902 6.4165 8.05584 numMergedOcc 0
