0 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 9.36527 7.98326 10.7734 5.23547 6.859 4.10106 9.74251 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.52695 5.8961 5.96346 10.1362 7.46578 9.62262 5.23547 6.859 4.10106 6.56765 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.19544 5.69927 5.89412 8.80394 6.03257 9.75966 5.61111 6.23015 6.91314 5.20798 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 5.19544 7.63656 7.07399 8.80394 6.03257 4.39605 5.61111 6.23015 5.49251 5.20798 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.27369 10.2609 6.46104 12.8556 6.93197 7.23703 5.23054 6.07276 5.56139 10.1622 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.27369 8.18809 7.36856 12.8556 6.93197 5.81765 5.23054 6.07276 7.73394 10.1622 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 5.51406 10.2967 9.30539 10.4949 8.66165 4.57085 6.44712 8.77355 12.6799 10.6223 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.66068 16.3524 8.8822 14.6132 6.6317 7.27193 8.60362 9.30645 13.9729 9.74974 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.04845 14.5617 6.16242 6.26174 8.95662 12.131 5.68827 8.83732 13.0405 6.24625 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.04845 13.7612 5.87634 6.26174 8.95662 14.8102 5.68827 8.83732 13.7612 6.24625 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.94325 11.4104 6.16242 5.53181 8.95662 12.131 10.124 8.83732 13.0405 6.24625 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.94325 12.9605 5.87634 5.53181 8.95662 14.8102 10.124 8.83732 13.7612 6.24625 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 6.72323 10.2385 6.16242 14.5316 8.95662 12.131 11.5628 8.83732 13.0405 6.24625 numMergedOcc 0
13 mol 133 unq 5 iso 0 dist 6.72323 4.64588 5.87634 14.5316 8.95662 14.8102 11.5628 8.83732 13.7612 6.24625 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 6.21194 9.22906 9.61462 4.47323 5.25109 11.5561 9.12839 7.47964 7.5383 11.4851 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.21194 9.22906 9.61462 4.73373 8.21618 10.844 9.12839 7.47964 7.5383 12.9811 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 10.453 8.86197 7.81713 7.62237 9.88897 6.28125 5.3698 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.95568 4.11061 6.59025 3.97538 5.94379 7.16549 7.62237 9.88897 6.28125 9.56782 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.07527 9.32503 5.9176 10.0344 7.22883 6.29863 9.00952 8.12266 10.6474 14.2282 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.07527 9.32503 5.9176 10.0344 7.22883 6.29863 8.32063 9.43306 5.12833 10.273 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.07527 9.32503 5.9176 10.0344 7.22883 6.29863 7.88733 8.59681 4.61184 5.14966 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 8.95598 4.41193 6.42735 12.4352 7.54099 8.08596 6.60692 7.81263 4.08775 7.81466 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 6.36084 9.8664 4.9377 6.54593 6.59036 5.42461 4.68548 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 8.08939 11.6777 5.50492 8.89726 7.95359 7.6169 10.7011 6.53416 6.1597 3.92686 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 8.08939 11.6777 5.50492 10.6799 6.22122 5.17744 10.7011 6.53416 6.1597 10.3324 numMergedOcc 0
25 mol 244 unq 2 iso 0 dist 7.33574 7.45211 5.50492 4.55034 7.95359 7.6169 7.2524 6.53416 6.1597 3.92686 numMergedOcc 0
26 mol 244 unq 3 iso 0 dist 7.33574 7.45211 5.50492 8.05133 6.22122 5.17744 7.2524 6.53416 6.1597 10.3324 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.38341 5.75973 8.83865 7.55971 7.16346 12.0136 3.80794 7.85836 4.24707 8.43367 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 6.38341 5.75973 8.83865 7.55971 7.16346 12.0136 5.19474 6.35532 8.56043 3.78984 numMergedOcc 0
29 mol 273 unq 2 iso 0 dist 6.38341 9.40198 9.18157 7.55971 7.16346 12.1851 3.80794 7.85836 6.65672 8.43367 numMergedOcc 0
30 mol 273 unq 3 iso 0 dist 6.38341 9.40198 9.18157 7.55971 7.16346 12.1851 5.19474 6.35532 8.81454 3.78984 numMergedOcc 0
