0 mol 39 unq 0 iso 0 dist 6.41793 8.55553 5.16873 6.3982 5.27182 9.17793 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.41793 5.00813 7.52517 6.3982 5.27182 10.3522 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 6.50101 8.55553 3.08793 6.3982 9.12545 9.17793 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 6.50101 5.00813 4.6056 6.3982 9.12545 10.3522 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.15901 9.82307 5.14161 4.69849 8.34145 12.2699 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.04168 8.51933 12.3073 9.34648 8.7515 14.2824 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 5.70907 8.51933 3.29053 4.4921 8.51259 11.4859 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.71763 6.46217 4.98621 7.92049 7.23305 10.7925 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 6.18348 6.25522 5.31693 5.33894 7.23305 8.30921 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 6.18348 7.87145 3.09636 5.33894 7.23305 7.39732 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 6.18348 9.30914 3.7348 5.33894 7.23305 9.67744 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.68663 8.56866 8.45583 15.2605 9.29944 17.0999 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.68663 5.66207 5.94217 15.2605 9.29944 12.5751 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 5.13268 7.48765 4.57041 8.5768 8.75024 12.4531 numMergedOcc 0
14 mol 170 unq 1 iso 0 dist 9.00677 7.16404 3.58196 9.3696 8.75024 10.6388 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 9.62911 7.56327 8.61517 12.5919 7.90657 14.8904 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 8.21997 6.20118 3.14057 6.28124 8.25329 8.49349 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 7.14086 8.78525 10.1726 5.82131 9.78237 12.2745 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 7.14086 8.78525 10.1726 10.0297 9.70101 17.6926 numMergedOcc 0
19 mol 264 unq 2 iso 0 dist 7.14086 8.78525 10.1726 9.58444 9.95798 15.5825 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.2558 8.42359 3.08474 11.4284 9.23612 9.21469 numMergedOcc 0
