0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 8.56483 5.59311 8.70827 9.12854 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 13.3777 12.176 6.73939 18.673 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.40392 8.59466 7.36323 8.23069 5.54419 12.3067 8.56483 5.59311 9.12854 8.70827 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 12.0615 6.08585 8.50222 7.55264 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 12.0615 6.08585 7.55264 8.50222 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 6.53977 6.72123 6.86346 16.6215 13.5488 9.25641 14.4663 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 14.4253 11.6378 9.27838 16.0048 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 13.0232 6.19965 5.42586 5.20528 9.29301 9.82915 12.0078 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 15.5866 8.09967 7.54568 10.0796 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.1765 6.48948 9.51923 11.7625 7.06961 6.7117 9.42961 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 8.06684 6.10456 8.40073 11.7625 7.06961 6.7117 4.47349 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 12.3158 5.08437 8.40073 11.7625 7.06961 4.47349 6.7117 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 9.83528 8.06684 6.10456 15.1765 6.48948 9.42358 11.7625 7.06961 4.47349 9.42961 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 7.54969 11.7493 5.08437 10.3366 6.48948 9.51923 9.49967 7.06961 6.7117 9.42961 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 7.54969 11.7493 5.08437 5.15322 6.10456 8.40073 9.49967 7.06961 6.7117 4.47349 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 7.54969 5.15322 6.10456 11.7493 5.08437 8.40073 9.49967 7.06961 4.47349 6.7117 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 7.54969 5.15322 6.10456 10.3366 6.48948 9.42358 9.49967 7.06961 4.47349 9.42961 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 5.61003 6.82262 5.61668 16.7357 10.6025 7.71248 12.4749 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.00172 13.2145 6.29155 15.719 6.80239 7.81217 12.0146 4.54648 6.16242 5.87634 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 9.00172 13.2145 6.29155 14.0905 8.00618 11.965 12.0146 4.54648 6.16242 10.9061 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 9.00172 15.719 6.80239 13.2145 6.29155 7.81217 12.0146 4.54648 5.87634 6.16242 numMergedOcc 0
21 mol 133 unq 4 iso 0 dist 9.00172 15.719 6.80239 14.0905 8.00618 7.79672 12.0146 4.54648 5.87634 10.9061 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 7.85849 5.29786 6.23142 9.94764 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 8.84656 16.7911 9.71307 10.879 6.37586 6.81259 7.85849 5.29786 9.94764 6.23142 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 4.9155 9.30817 6.54501 10.879 6.49416 5.00526 7.85849 5.71679 7.69991 6.23142 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 7.85849 5.71679 6.23142 7.69991 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 8.49987 6.47843 6.54501 10.9399 6.49416 5.00526 10.2775 5.71679 7.69991 6.23142 numMergedOcc 0
27 mol 134 unq 5 iso 0 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 10.2775 5.71679 6.23142 7.69991 numMergedOcc 0
28 mol 134 unq 6 iso 0 dist 9.42271 6.16353 6.54501 7.07625 6.49416 5.00526 6.08299 5.71679 7.69991 6.23142 numMergedOcc 0
29 mol 134 unq 7 iso 0 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 6.08299 5.71679 6.23142 7.69991 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 12.2916 8.24498 10.5449 11.3009 7.11498 6.59716 13.1498 numMergedOcc 0
31 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 7.6832 8.40182 4.06055 10.2835 6.37275 6.98875 6.54852 numMergedOcc 0
32 mol 231 unq 1 iso 0 dist 6.02527 7.6832 8.40182 6.68357 7.37839 4.06055 10.2835 6.37275 6.54852 6.98875 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 4.72487 9.361 10.3202 13.4374 7.52936 5.93616 13.2142 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 10.6141 7.52936 5.93616 13.2142 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.3302 8.49997 6.33073 6.74022 5.29529 8.52587 11.6126 numMergedOcc 0
