0 mol 18 unq 0 iso 0 dist 4.70023 9.74802 5.867 5.79003 6.09533 8.09187 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 4.15066 6.90375 4.99489 6.75769 7.6974 9.84521 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.76383 5.667 4.42702 5.7965 9.75161 6.92381 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 5.64099 9.43616 10.9042 4.19068 7.80019 9.23584 numMergedOcc 0
4 mol 99 unq 1 iso 0 dist 5.64099 8.43048 9.91993 4.19068 7.80019 5.81267 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.04398 7.77845 9.89157 10.3632 12.1329 5.45882 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 9.04398 7.77845 9.89157 9.86085 13.6638 4.57487 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.99873 7.90329 5.28095 6.06647 8.66766 8.61909 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 5.99873 9.31512 12.7899 6.06647 8.66766 5.96977 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.55237 8.82363 10.089 10.39 15.4379 6.40751 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 7.80661 5.76702 10.089 8.89934 15.4379 6.40751 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 8.94007 7.88785 4.30798 5.76262 8.76449 9.23589 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 8.94007 7.88785 4.30798 4.09924 8.36182 9.22196 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 6.55106 6.47176 4.20839 5.25264 7.26558 9.67312 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 8.08891 8.92131 4.20839 3.97245 7.26558 9.67312 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 8.05227 9.47487 4.40086 11.3271 11.6058 9.6071 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 8.05227 9.47487 4.40086 15.4113 14.0133 9.77656 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 9.60654 9.16822 11.8766 3.64687 11.5517 8.9632 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 7.11262 9.16822 7.34921 3.64687 9.64364 8.9632 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.79012 9.00987 14.2669 4.38276 9.46576 8.8385 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 5.03174 6.61098 5.71512 11.3526 10.2489 8.56867 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 5.03174 6.61098 5.71512 8.93485 8.69937 6.29872 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 7.22743 6.25794 5.71512 6.26054 10.2489 8.56867 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 7.22743 6.25794 5.71512 3.81537 8.69937 6.29872 numMergedOcc 0
24 mol 286 unq 0 iso 0 dist 8.23357 5.31897 6.15824 4.74746 11.9172 7.79622 numMergedOcc 0
