0 mol 20 unq 0 iso 0 dist 9.4759 8.91975 17.1657 9.63181 12.1337 10.5266 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.41008 6.5461 7.24223 9.67946 15.9786 12.9801 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 4.10339 9.0321 6.40864 7.11464 6.94144 4.74833 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 4.10339 8.88147 12.0287 7.11464 6.94144 12.2764 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.00814 5.97363 6.70627 7.38868 9.7068 3.72006 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 8.00814 5.97363 6.70627 9.04129 5.9436 5.2359 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 5.75102 6.01135 9.02337 5.70431 6.06105 4.07844 numMergedOcc 0
7 mol 136 unq 0 iso 0 dist 8.06032 9.12669 14.8154 9.2211 4.94273 12.7228 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 8.60157 9.62458 13.2874 9.92375 13.7802 14.4323 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 6.72591 9.62458 16.2048 9.92375 9.82423 14.4323 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 3.87901 9.14728 8.46989 8.67001 7.1886 13.1991 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.6514 9.08844 13.8546 7.93807 7.33075 9.40319 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 7.51045 7.79858 13.5721 5.92785 8.78943 9.96392 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 7.51045 7.19946 10.7092 5.92785 8.78943 5.65874 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.67207 6.08455 7.71442 7.27051 13.2917 7.52403 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 9.67207 6.08455 7.71442 7.35424 10.3343 6.91699 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 9.09371 9.92621 12.5433 5.87056 7.15779 5.78036 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 9.09371 9.92621 12.5433 9.84311 13.3228 14.7628 numMergedOcc 0
18 mol 227 unq 2 iso 0 dist 9.09371 9.92621 12.5433 8.85568 6.10844 16.4453 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 9.94532 8.67447 10.1869 6.8795 6.83989 10.9471 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 8.89938 5.75554 12.2832 8.16917 7.21193 8.47076 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 9.11602 7.17626 13.3487 8.82948 15.3271 5.41757 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 9.11602 7.17626 13.3487 8.82948 15.3271 5.41757 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 9.11602 7.17626 13.3487 8.82948 15.3271 5.41757 numMergedOcc 0
