0 mol 26 unq 0 iso 0 dist 8.62693 14.8978 7.84204 11.5426 5.88467 8.81085 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.17564 4.82623 7.92479 5.81747 4.07863 4.90216 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 8.17564 8.76577 7.86646 5.81747 4.07863 9.84217 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 7.19213 6.24283 7.92479 6.81975 4.07863 4.90216 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 7.19213 5.00893 7.86646 6.81975 4.07863 9.84217 numMergedOcc 0
5 mol 59 unq 4 iso 0 dist 6.94351 14.6444 7.92479 10.0694 4.07863 4.90216 numMergedOcc 0
6 mol 59 unq 5 iso 0 dist 6.94351 12.5693 7.86646 10.0694 4.07863 9.84217 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.15288 5.07418 7.03887 11.6586 10.1263 8.48827 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.15288 5.07418 7.03887 10.9242 6.88255 8.03895 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 9.15288 5.40359 5.36451 11.6586 10.1263 7.14048 numMergedOcc 0
10 mol 78 unq 3 iso 0 dist 9.15288 5.40359 5.36451 10.9242 6.88255 5.68873 numMergedOcc 0
11 mol 78 unq 4 iso 0 dist 9.4909 12.3912 7.03887 17.923 10.1263 8.48827 numMergedOcc 0
12 mol 78 unq 5 iso 0 dist 9.4909 12.3912 7.03887 15.0238 6.88255 8.03895 numMergedOcc 0
13 mol 78 unq 6 iso 0 dist 9.4909 11.2645 5.36451 17.923 10.1263 7.14048 numMergedOcc 0
14 mol 78 unq 7 iso 0 dist 9.4909 11.2645 5.36451 15.0238 6.88255 5.68873 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 9.30724 9.79765 6.18681 11.2844 4.97513 6.10053 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 8.46844 3.47453 5.97134 10.6788 6.28784 8.26128 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 5.41368 3.55808 7.61421 5.75545 4.48609 8.17301 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.96182 6.33098 7.61421 8.86645 4.48609 8.17301 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 7.90237 8.9845 7.61421 11.1461 4.48609 8.17301 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.86352 5.97362 7.76863 13.446 5.43506 9.12524 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 7.31632 5.83113 7.74029 12.5832 15.2718 8.87165 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.79085 13.7353 8.49913 13.7548 6.17401 9.67243 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 6.48753 10.1969 8.49913 12.5589 6.17401 9.67243 numMergedOcc 0
24 mol 232 unq 2 iso 0 dist 7.83802 6.46773 8.49913 12.4712 6.17401 9.67243 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.19915 3.76405 9.11149 8.92054 5.52698 8.1174 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.46351 9.58753 9.61028 5.30455 6.58569 6.69951 numMergedOcc 0
27 mol 286 unq 0 iso 0 dist 8.39965 3.85003 7.79622 5.03123 7.82593 8.14957 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 7.12793 4.93923 9.33755 12.3722 10.3713 9.64969 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 6.21208 10.6017 9.33755 15.7257 10.3713 9.64969 numMergedOcc 0
