0 mol 41 unq 0 iso 0 dist 9.95913 5.2891 6.75602 10.1375 10.8697 6.51139 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.49678 5.37112 5.06188 7.55854 9.90363 9.14072 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.77899 4.89257 7.15248 11.7999 10.5984 8.62244 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 9.10105 4.89257 8.43162 11.7999 9.67456 8.62244 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.37476 4.49648 7.48556 8.07638 12.3943 8.73093 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.37476 4.49648 7.48556 6.79787 9.57143 8.02104 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.37476 4.50556 9.47045 8.07638 12.3943 9.1622 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.37476 4.50556 9.47045 6.79787 9.57143 7.59013 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.52544 4.77004 5.73235 13.0583 8.04327 8.92491 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.52544 4.77004 5.73235 9.0101 7.7047 7.41861 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 8.08674 4.77004 7.48127 13.0583 14.685 8.92491 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 8.08674 4.77004 7.48127 9.0101 4.00834 7.41861 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 8.0514 5.95611 6.79959 12.2812 7.3651 8.75165 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.80616 5.64342 8.57909 5.99873 4.66388 8.79677 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.83241 12.8233 7.6453 13.9359 5.0466 6.65878 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 9.87296 7.16994 5.99596 16.0281 7.28318 9.63241 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 8.51507 5.48787 9.47321 13.0865 10.2802 9.01418 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.73513 11.9426 6.43519 12.2388 11.2438 8.47833 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 6.73513 11.9426 6.43519 9.67866 7.47443 5.47586 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.7874 5.43552 4.36421 12.3814 6.46773 7.08083 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 9.06221 4.67806 6.9103 8.73545 12.4724 8.01777 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 7.73969 11.1044 4.71683 15.3719 11.094 9.51001 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.4319 10.3585 7.58554 10.6911 6.54316 4.53228 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 8.4319 10.3585 7.58554 14.0524 6.2497 8.54078 numMergedOcc 0
24 mol 245 unq 0 iso 0 dist 5.70624 12.1537 7.95061 10.5935 5.43086 9.59668 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.27225 11.1283 8.58092 16.7783 11.0749 8.53084 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.27225 11.1283 8.58092 9.44043 9.26732 5.9223 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 8.78501 8.96584 9.39714 11.0611 14.487 7.3055 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 7.90629 6.04262 9.50884 10.3052 12.846 6.96986 numMergedOcc 0
29 mol 271 unq 1 iso 0 dist 9.01599 10.8455 9.50884 16.6812 12.846 6.96986 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 8.92737 9.82894 6.37998 12.9173 5.71611 9.4943 numMergedOcc 0
31 mol 294 unq 1 iso 0 dist 7.15278 6.49126 6.37998 11.8749 5.71611 9.4943 numMergedOcc 0
