0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 14.9909 8.13395 8.80331 18.5268 9.49077 9.83618 10.4442 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 10.1107 5.24906 9.73139 13.1021 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 5.99959 5.11205 6.31428 6.75888 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 7.15486 10.6169 9.4099 10.1107 13.1021 9.73139 5.24906 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 8.52969 4.98107 9.55426 7.15486 10.6169 9.4099 5.99959 6.75888 6.31428 5.11205 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 18.2379 12.5396 8.84665 12.8492 5.3525 8.24062 11.0387 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 13.1891 8.19458 8.25513 12.8492 5.3525 8.24062 9.15805 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 8.97292 14.1347 7.71095 20.4157 12.5396 8.84665 10.0237 5.3525 8.24062 11.0387 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 17.0558 8.19458 8.25513 10.0237 5.3525 8.24062 9.15805 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 13.6976 6.86346 6.65721 12.3867 7.39396 8.76003 5.83489 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 13.6801 13.1316 9.33898 12.3154 12.4284 8.36431 10.9701 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 20.0169 15.209 7.75343 10.9608 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 20.0169 15.209 7.75343 5.69137 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 18.8484 13.887 9.30209 20.0169 15.209 7.75343 9.21622 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 24.1237 15.209 7.75343 10.9608 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 24.1237 15.209 7.75343 5.69137 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 9.26343 16.4386 7.47343 21.5791 13.887 9.30209 24.1237 15.209 7.75343 9.21622 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 12.2418 5.56175 8.94056 9.89595 7.29758 6.27641 8.67156 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 10.8849 8.38403 9.83699 9.89595 7.29758 6.27641 4.53931 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 7.04318 6.2715 5.6234 14.6406 8.22779 9.8589 10.5631 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 11.9173 8.16421 6.57069 14.6406 8.22779 9.8589 7.5414 numMergedOcc 0
21 mol 175 unq 2 iso 0 dist 8.50904 10.1323 7.652 7.04318 6.2715 9.92231 14.6406 8.22779 7.24908 10.5631 numMergedOcc 0
22 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 8.50904 6.2715 9.0018 14.6406 10.5631 9.8589 8.22779 numMergedOcc 0
23 mol 175 unq 4 iso 0 dist 7.04318 8.09861 5.6234 11.9173 5.35493 6.57069 14.6406 10.5631 9.8589 7.5414 numMergedOcc 0
24 mol 175 unq 5 iso 0 dist 7.04318 10.1323 9.92231 8.50904 6.2715 7.652 14.6406 10.5631 7.24908 8.22779 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 10.064 5.34677 6.43573 13.3172 10.5783 8.96511 5.96647 numMergedOcc 0
26 mol 178 unq 1 iso 0 dist 6.01118 9.73148 6.69288 16.3874 11.7381 7.17202 13.3172 10.5783 8.96511 12.075 numMergedOcc 0
27 mol 178 unq 2 iso 0 dist 6.01118 9.73148 6.69288 18.2053 14.0703 8.81551 13.3172 10.5783 8.96511 9.92132 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.96824 8.76337 7.63312 14.2075 8.85576 7.81386 10.5414 9.60512 7.98142 9.53462 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 14.2075 8.85576 7.81386 13.0459 13.3389 7.37327 11.1462 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 11.1264 5.4601 7.20046 6.14208 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 15.1056 10.0524 7.13543 5.95965 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 15.9523 10.5449 8.24498 10.22 6.7067 6.84247 6.05129 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 8.93637 14.8074 9.23153 15.9523 10.5449 8.24498 19.9234 15.9568 6.99002 11.1321 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 11.6406 13.3522 8.01589 10.7072 12.2813 6.82208 4.8892 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 9.43484 5.24516 7.7699 10.7072 12.2813 6.82208 11.0074 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 11.6569 9.29921 6.07192 6.48757 numMergedOcc 0
37 mol 248 unq 1 iso 0 dist 8.34646 6.21372 8.2965 10.9878 5.86196 7.21521 11.6569 9.29921 6.07192 5.51827 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 15.1099 6.0987 8.1148 18.825 9.37715 7.66365 4.23801 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 9.34738 4.86771 7.84554 15.0738 11.6195 7.48005 11.8736 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 15.0738 11.6195 7.48005 5.79468 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 14.8529 10.4881 9.18903 15.0738 11.6195 7.48005 12.6649 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 15.0738 11.8736 7.48005 11.6195 numMergedOcc 0
43 mol 259 unq 4 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 15.0738 11.8736 7.48005 5.79468 numMergedOcc 0
44 mol 259 unq 5 iso 0 dist 9.34738 13.8605 7.84554 14.8529 5.87173 9.18903 15.0738 11.8736 7.48005 12.6649 numMergedOcc 0
45 mol 259 unq 6 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 15.0738 5.79468 7.48005 11.6195 numMergedOcc 0
46 mol 259 unq 7 iso 0 dist 9.47382 13.8605 7.46176 9.34738 7.64658 7.84554 15.0738 5.79468 7.48005 11.8736 numMergedOcc 0
47 mol 259 unq 8 iso 0 dist 9.47382 13.8605 7.46176 14.8529 10.5239 9.18903 15.0738 5.79468 7.48005 12.6649 numMergedOcc 0
48 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 12.2355 6.88557 9.8993 7.3327 6.4102 8.76347 7.54851 numMergedOcc 0
49 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 10.9708 10.0156 8.04483 14.2443 8.14825 8.8673 10.1236 numMergedOcc 0
50 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 7.90792 4.66602 6.33524 14.2443 8.14825 8.8673 7.36881 numMergedOcc 0
51 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 10.9708 5.39891 8.04483 14.2443 7.36881 8.8673 10.1236 numMergedOcc 0
52 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 7.70229 4.66602 8.76532 14.2443 7.36881 8.8673 8.14825 numMergedOcc 0
