0 mol 67 unq 0 iso 0 dist 9.77899 4.89257 7.15248 11.7999 10.5984 8.62244 9.10105 5.55985 8.43162 9.67456 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 9.10105 4.89257 8.43162 11.7999 9.67456 8.62244 9.77899 5.55985 7.15248 10.5984 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.37476 4.50556 9.47045 8.07638 12.3943 9.1622 10.8557 11.7643 8.07498 17.0484 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.37476 4.50556 9.47045 6.79787 9.57143 7.59013 10.8557 11.7643 8.07498 14.8028 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.52544 4.77004 5.73235 13.0583 8.04327 8.92491 8.08674 10.0928 7.48127 14.685 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 7.52544 4.77004 5.73235 9.0101 7.7047 7.41861 8.08674 10.0928 7.48127 4.00834 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.08674 4.77004 7.48127 13.0583 14.685 8.92491 7.52544 10.0928 5.73235 8.04327 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 8.08674 4.77004 7.48127 9.0101 4.00834 7.41861 7.52544 10.0928 5.73235 7.7047 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.80616 5.64342 8.57909 5.99873 4.66388 8.79677 11.4105 8.36743 6.54778 11.5575 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 8.51507 5.48787 9.47321 13.0865 10.2802 9.01418 10.5148 8.74557 6.38294 4.79488 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 8.4319 10.3585 7.58554 10.6911 6.54316 4.53228 12.3416 7.99748 8.26312 10.9464 numMergedOcc 0
11 mol 239 unq 1 iso 0 dist 8.4319 10.3585 7.58554 14.0524 6.2497 8.54078 12.3416 7.99748 8.26312 10.4394 numMergedOcc 0
12 mol 245 unq 0 iso 0 dist 5.70624 12.1537 7.95061 10.5935 5.43086 9.59668 20.1287 15.2703 9.5096 14.5112 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.27225 11.1283 8.58092 16.7783 11.0749 8.53084 16.1106 8.76629 7.53199 4.80942 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 9.27225 11.1283 8.58092 16.7783 11.0749 8.53084 12.0657 5.64447 7.40014 5.81432 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 9.27225 11.1283 8.58092 9.44043 9.26732 5.9223 16.1106 8.76629 7.53199 10.1932 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 9.27225 11.1283 8.58092 9.44043 9.26732 5.9223 12.0657 5.64447 7.40014 6.72414 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.78501 8.96584 9.39714 11.0611 14.487 7.3055 13.7111 13.1611 6.57444 6.1113 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 8.92737 9.82894 6.37998 12.9173 5.71611 9.4943 16.9157 8.23817 9.77023 7.88101 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 7.15278 6.49126 6.37998 11.8749 5.71611 9.4943 14.2958 8.23817 9.77023 7.88101 numMergedOcc 0
