0 mol 1 unq 0 iso 0 dist 9.33719 7.42008 8.61411 7.16224 5.74199 5.55519 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 8.66033 14.6076 6.52386 5.31104 9.74371 14.1164 numMergedOcc 0
2 mol 2 unq 1 iso 0 dist 9.54324 9.8254 6.52386 9.97841 9.74371 14.1164 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.81871 9.2768 5.77374 16.368 8.0166 9.33944 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.71959 9.2768 8.57437 5.46848 9.67498 10.0257 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.71959 9.2768 8.57437 16.368 9.32945 9.33944 numMergedOcc 0
6 mol 14 unq 0 iso 0 dist 6.69294 13.7871 9.42142 10.2428 7.66311 5.06934 numMergedOcc 0
7 mol 14 unq 1 iso 0 dist 5.35021 11.3079 9.42142 9.04499 7.66311 5.06934 numMergedOcc 0
8 mol 44 unq 0 iso 0 dist 4.52881 4.61354 7.85573 8.53077 8.23606 11.0282 numMergedOcc 0
9 mol 44 unq 1 iso 0 dist 4.52881 6.03595 6.21423 8.53077 8.23606 6.5318 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.91858 16.776 9.10386 12.7633 9.27355 7.53682 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 6.24473 6.27172 5.33644 4.73115 6.81741 6.02095 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.07051 11.6306 8.52125 9.41878 7.11187 5.60763 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 8.07051 11.6306 8.52125 6.19687 6.60356 13.5152 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.92525 12.8431 7.66832 8.1956 8.59182 9.79203 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 9.92525 11.975 8.11083 8.1956 8.59182 5.26073 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 4.84604 9.45934 6.85651 6.92975 9.07294 8.75242 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 4.84604 9.45934 6.85651 6.53637 7.50126 14.0828 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 4.84604 5.10912 7.03858 6.92975 9.07294 6.45333 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 4.84604 5.10912 7.03858 6.53637 7.50126 11.5586 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.91507 11.6041 9.49104 4.92832 5.33543 8.22726 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 8.63766 5.92269 9.22427 16.8544 9.71692 14.778 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 8.7107 5.95123 9.32504 16.9387 9.73708 14.922 numMergedOcc 0
23 mol 151 unq 0 iso 0 dist 8.20292 5.34678 5.89907 12.7974 8.40442 12.2991 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.87789 14.5261 9.89709 6.94426 7.02662 12.6035 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.10711 13.3146 8.56656 10.8277 9.68829 12.3775 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 9.10711 13.3146 8.56656 13.6126 7.75205 4.13623 numMergedOcc 0
27 mol 211 unq 0 iso 0 dist 8.47937 8.40497 7.38723 5.28889 9.8921 12.6613 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 9.29519 6.08918 8.10096 5.84124 7.20862 6.92911 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 8.99792 5.69491 8.15897 7.14491 9.174 6.70277 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 6.59726 5.18094 6.06284 9.27415 6.51428 5.45847 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 5.81003 7.04281 8.9297 7.5301 6.51449 4.65989 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.85653 4.0145 9.71653 8.89193 8.57035 6.05412 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 6.075 9.47753 8.82869 7.71145 5.76337 4.75799 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 6.075 9.47753 8.82869 3.95468 8.60441 11.9879 numMergedOcc 0
