0 mol 19 unq 0 iso 0 dist 7.7312 4.69858 6.38574 4.13497 8.96634 7.27506 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.30217 14.9359 7.92479 5.43926 6.10199 10.9396 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 5.98809 7.59143 7.75479 6.3561 7.24101 4.98364 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.99912 8.69934 5.45882 10.3188 6.13175 3.85992 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.111 12.8359 8.53618 15.1597 8.24171 5.14679 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.111 12.8359 8.53618 9.43434 5.38148 11.9979 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 8.111 12.8359 8.53618 9.21204 6.63094 3.6989 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.3273 4.29204 9.68074 6.61953 7.70581 4.01524 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 6.73617 6.02355 9.23589 9.58148 9.28718 9.06581 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.95136 10.0907 8.19749 9.72283 9.39795 12.2316 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 8.95136 10.0907 8.19749 8.34086 7.33424 6.77401 numMergedOcc 0
11 mol 184 unq 2 iso 0 dist 8.95136 10.0907 8.19749 13.3799 8.04472 6.49956 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 5.72327 8.91002 8.13595 6.2159 6.12608 12.0153 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 5.81301 8.34559 8.13595 4.39241 6.12608 12.0153 numMergedOcc 0
14 mol 277 unq 2 iso 0 dist 9.81201 8.76212 8.13595 8.47438 6.12608 12.0153 numMergedOcc 0
15 mol 283 unq 0 iso 0 dist 9.07995 6.86733 9.06774 6.79513 9.74797 9.22715 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 5.30118 7.23534 5.50067 7.57364 9.97939 13.2286 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 8.98698 11.7115 5.50067 3.99731 9.97939 13.2286 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 5.30118 7.23534 5.50067 7.57364 9.97939 13.2286 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 8.98698 11.7115 5.50067 3.99731 9.97939 13.2286 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 5.30118 7.23534 5.50067 7.57364 9.97939 13.2286 numMergedOcc 0
21 mol 289 unq 1 iso 0 dist 8.98698 11.7115 5.50067 3.99731 9.97939 13.2286 numMergedOcc 0
