0 mol 24 unq 0 iso 0 dist 9.03541 14.3235 8.69288 12.2619 8.85286 5.69207 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.03541 10.5945 7.77964 12.2619 8.85286 5.49307 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 7.71617 4.98274 5.09702 7.24911 5.99655 3.44035 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.31516 10.8961 5.40489 17.6735 9.32314 9.49077 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.3711 12.2676 9.08825 10.1475 5.45099 5.16522 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.3711 12.2676 9.08825 4.4828 8.44765 9.60553 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 9.3711 12.2676 9.08825 7.00476 9.06643 12.9855 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.0318 6.2804 8.51259 5.67799 9.21761 3.07021 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.89939 9.48735 7.20211 5.92952 9.54696 5.54238 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 8.89939 9.48735 7.20211 9.79253 4.62636 3.12382 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 9.35772 11.0863 8.40821 7.72329 7.91458 4.69348 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.95076 5.09521 9.43904 4.95423 8.91326 5.34959 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 7.76112 5.09521 7.01095 4.95423 8.33649 5.34959 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.82338 9.33116 8.5672 5.56574 9.17458 5.53349 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.82338 9.33116 8.5672 7.76011 7.36794 4.65666 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 7.99933 5.32701 5.67168 5.56574 6.94594 4.97041 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 7.99933 5.32701 5.67168 7.76011 5.81881 6.50779 numMergedOcc 0
17 mol 207 unq 0 iso 0 dist 6.06003 4.43093 4.76113 8.77108 7.30153 4.67727 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.79617 7.78712 9.43017 3.74444 8.7434 10.9158 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 8.46235 9.18805 9.37602 8.92326 6.19602 10.2731 numMergedOcc 0
20 mol 217 unq 1 iso 0 dist 8.46235 6.07874 8.26522 8.92326 6.19602 4.56185 numMergedOcc 0
21 mol 217 unq 2 iso 0 dist 5.27487 13.3672 9.37602 4.90493 6.19602 10.2731 numMergedOcc 0
22 mol 217 unq 3 iso 0 dist 5.27487 8.6943 8.26522 4.90493 6.19602 4.56185 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 5.07975 6.84149 8.14294 12.2754 8.88902 10.1968 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.07313 8.17555 8.30024 12.5873 9.53137 8.97648 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 8.07313 7.40657 8.20943 12.5873 9.53137 14.0671 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.18813 13.3706 7.16209 11.5613 5.13533 5.9732 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 8.18813 12.1739 4.62936 11.5613 5.13533 3.79766 numMergedOcc 0
