0 mol 70 unq 0 iso 0 dist 9.49626 16.9284 7.92394 11.8044 5.22626 8.33704 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 12.1059 6.77912 14.5784 5.36766 8.624 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.9795 5.84688 9.47876 11.5591 6.9948 7.22293 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.26438 10.7144 5.87358 13.8343 4.98336 9.20981 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 6.43255 9.77909 5.87358 9.27088 4.98336 9.20981 numMergedOcc 0
5 mol 109 unq 2 iso 0 dist 7.4389 8.77144 5.87358 7.24527 4.98336 9.20981 numMergedOcc 0
6 mol 109 unq 3 iso 0 dist 7.24527 8.77144 9.20981 7.4389 4.98336 5.87358 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.71345 11.3386 8.71128 11.7295 5.59517 7.52743 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.37528 4.55723 6.87861 10.8716 10.4294 6.50039 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.64107 10.0279 6.50039 16.5917 10.4294 6.87861 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.84656 13.386 5.42582 10.9216 5.49782 8.79571 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.84656 13.386 5.42582 4.9155 5.00817 8.6355 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 4.9155 13.386 8.6355 10.9216 8.80819 8.79571 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 4.9155 13.386 8.6355 8.84656 5.00817 5.42582 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 8.49987 15.6111 8.6355 14.7559 8.80819 8.79571 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 8.49987 15.6111 8.6355 13.0189 5.00817 5.42582 numMergedOcc 0
16 mol 134 unq 6 iso 0 dist 9.42271 11.8215 8.6355 9.79337 8.80819 8.79571 numMergedOcc 0
17 mol 134 unq 7 iso 0 dist 9.42271 11.8215 8.6355 10.5814 5.00817 5.42582 numMergedOcc 0
18 mol 134 unq 8 iso 0 dist 8.94541 5.24231 8.94837 10.5335 7.93571 7.77454 numMergedOcc 0
19 mol 134 unq 9 iso 0 dist 7.30919 9.87127 8.94837 10.3264 7.93571 7.77454 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 8.86346 9.01957 7.15475 13.95 5.32922 9.07935 numMergedOcc 0
21 mol 142 unq 1 iso 0 dist 4.93681 6.17441 7.15475 9.86383 5.32922 9.07935 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 8.00286 10.949 8.87452 15.076 12.1545 9.17284 numMergedOcc 0
23 mol 155 unq 1 iso 0 dist 8.00286 10.949 8.87452 12.3622 4.66274 9.87281 numMergedOcc 0
24 mol 155 unq 2 iso 0 dist 8.00286 12.5071 7.68368 12.3622 4.66274 8.27111 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 8.95233 12.6102 7.13323 11.5222 7.83217 7.17547 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 7.8128 7.62542 9.58736 14.0788 9.85037 9.43058 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 7.8128 7.62542 9.58736 15.6618 13.6669 8.75735 numMergedOcc 0
28 mol 235 unq 2 iso 0 dist 7.8128 7.62542 9.58736 12.4284 16.4493 6.98084 numMergedOcc 0
29 mol 235 unq 3 iso 0 dist 7.8128 7.62542 9.58736 12.9661 15.4 7.32211 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 5.77925 11.3746 7.17676 11.8216 7.28249 5.34718 numMergedOcc 0
31 mol 240 unq 0 iso 0 dist 7.6664 7.49446 6.15305 11.4891 4.28414 7.03489 numMergedOcc 0
32 mol 256 unq 0 iso 0 dist 9.51272 9.94758 8.09363 14.0759 9.92128 5.24676 numMergedOcc 0
